CID 362196

Nsc625794

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC3C1CC2C3C(=O)O
InChI
InChI=1S/C9H12O2/c10-9(11)8-6-2-4-1-5(6)3-7(4)8/h4-8H,1-3H2,(H,10,11)
InChIKey
ZSYWUFVACVUMCK-UHFFFAOYSA-N
Compound name
tricyclo[3.3.0.03,7]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 135.7
[M+Na]+ 175.07294 142.3
[M-H]- 151.07644 135.4
[M+NH4]+ 170.11754 167.3
[M+K]+ 191.04688 140.7
[M+H-H2O]+ 135.08098 135.0
[M+HCOO]- 197.08192 152.2
[M+CH3COO]- 211.09757 148.7
[M+Na-2H]- 173.05839 138.2
[M]+ 152.08317 139.7
[M]- 152.08427 139.7
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.