CID 134691130

Tricyclo[3.2.1.0,2,4]octane-6-carboxylic acid

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC(C1C3C2C3)C(=O)O
InChI
InChI=1S/C9H12O2/c10-9(11)8-2-4-1-6(8)7-3-5(4)7/h4-8H,1-3H2,(H,10,11)
InChIKey
VHPSMBLOFPORJW-UHFFFAOYSA-N
Compound name
tricyclo[3.2.1.02,4]octane-6-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 132.1
[M+Na]+ 175.072938 142.4
[M-H]- 151.076444 135.7
[M+NH4]+ 170.117543 153.8
[M+K]+ 191.046878 138.0
[M+H-H2O]+ 135.080980 128.8
[M+HCOO]- 197.081921 150.5
[M+CH3COO]- 211.097571 179.1
[M+Na-2H]- 173.058386 135.7
[M]+ 152.08317142 134.2
[M]- 152.08426858 134.2
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.