CID 75528876

Compound np-017162

Structural Information

Molecular Formula
C16H24O7
SMILES
CC1(C2CCC1(C(C2)OC(=O)C(CC(=O)O)(CC(=O)O)O)C)C
InChI
InChI=1S/C16H24O7/c1-14(2)9-4-5-15(14,3)10(6-9)23-13(21)16(22,7-11(17)18)8-12(19)20/h9-10,22H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKey
OAWJOZQLMVETKE-UHFFFAOYSA-N
Compound name
3-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

328.1522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.159476 176.4
[M+Na]+ 351.141418 181.3
[M-H]- 327.144924 174.7
[M+NH4]+ 346.186023 197.0
[M+K]+ 367.115358 179.9
[M+H-H2O]+ 311.149460 175.9
[M+HCOO]- 373.150401 187.8
[M+CH3COO]- 387.166051 201.2
[M+Na-2H]- 349.126866 177.2
[M]+ 328.15165142 178.5
[M]- 328.15274858 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.