CID 15932751

19027-07-7

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC3C1CC2(C3)C(=O)O
InChI
InChI=1S/C9H12O2/c10-8(11)9-3-5-1-7(9)2-6(5)4-9/h5-7H,1-4H2,(H,10,11)
InChIKey
CUXHLQQMYVCIRY-UHFFFAOYSA-N
Compound name
tricyclo[3.3.0.03,7]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 136.5
[M+Na]+ 175.072938 143.4
[M-H]- 151.076444 136.1
[M+NH4]+ 170.117543 169.8
[M+K]+ 191.046878 141.2
[M+H-H2O]+ 135.080980 135.5
[M+HCOO]- 197.081921 153.0
[M+CH3COO]- 211.097571 149.5
[M+Na-2H]- 173.058386 140.5
[M]+ 152.08317142 140.3
[M]- 152.08426858 140.3
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.