CID 5467503

Nsc653942

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(=C)C12CC\3CC(C1(C)O)/C(=N\O)/C(C2)/C3=N/O
InChI
InChI=1S/C14H20N2O3/c1-7(2)14-5-8-4-10(13(14,3)17)12(16-19)9(6-14)11(8)15-18/h8-10,17-19H,1,4-6H2,2-3H3/b15-11+,16-12-
InChIKey
DUQBBGYIGPVWES-LTNDZONTSA-N
Compound name
(4Z,6E)-4,6-bis(hydroxyimino)-2-methyl-1-prop-1-en-2-yladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 160.6
[M+Na]+ 287.13662 164.4
[M-H]- 263.14012 154.9
[M+NH4]+ 282.18122 185.3
[M+K]+ 303.11056 161.1
[M+H-H2O]+ 247.14466 155.9
[M+HCOO]- 309.14560 167.2
[M+CH3COO]- 323.16125 208.0
[M+Na-2H]- 285.12207 170.5
[M]+ 264.14685 160.9
[M]- 264.14795 160.9
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.