CID 9588000

Tricyclo(3.3.1.1(sup 3,7))decane-1,3-dicarboxylic acid, 4,8-bis(hydroxyimino)-, dipotassium salt

Structural Information

Molecular Formula
C12H14N2O6
SMILES
C1C2/C(=N\O)/C3(CC(C2)(/C(=N/O)/C1C3)C(=O)O)C(=O)O
InChI
InChI=1S/C12H14N2O6/c15-9(16)11-2-5-1-6(8(11)14-20)3-12(4-11,10(17)18)7(5)13-19/h5-6,19-20H,1-4H2,(H,15,16)(H,17,18)/b13-7+,14-8+
InChIKey
KTPCFJOGCRABAD-FNCQTZNRSA-N
Compound name
(4E,8E)-4,8-bis(hydroxyimino)adamantane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08517 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 157.0
[M+Na]+ 305.07439 159.9
[M-H]- 281.07789 149.7
[M+NH4]+ 300.11899 179.5
[M+K]+ 321.04833 158.5
[M+H-H2O]+ 265.08243 153.1
[M+HCOO]- 327.08337 162.5
[M+CH3COO]- 341.09902 206.2
[M+Na-2H]- 303.05984 168.5
[M]+ 282.08462 158.1
[M]- 282.08572 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.