CID 136650

825-03-6

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1(CC2CC1C=C2)C(=O)O
InChI
InChI=1S/C9H12O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKey
JIHFJSOMLKXSSQ-UHFFFAOYSA-N
Compound name
2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1804
Patents

152.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 133.9
[M+Na]+ 175.07294 142.3
[M-H]- 151.07644 136.0
[M+NH4]+ 170.11754 161.5
[M+K]+ 191.04688 140.1
[M+H-H2O]+ 135.08098 130.9
[M+HCOO]- 197.08192 154.7
[M+CH3COO]- 211.09757 173.2
[M+Na-2H]- 173.05839 138.2
[M]+ 152.08317 133.4
[M]- 152.08427 133.4
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.