CID 21584946

825-71-8

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC(C1C=C2)CC(=O)O
InChI
InChI=1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)
InChIKey
HRVGJQMCNYJEHM-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hept-5-enyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

748
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 134.1
[M+Na]+ 175.072938 141.5
[M-H]- 151.076444 135.9
[M+NH4]+ 170.117543 159.7
[M+K]+ 191.046878 139.5
[M+H-H2O]+ 135.080980 130.4
[M+HCOO]- 197.081921 155.0
[M+CH3COO]- 211.097571 173.7
[M+Na-2H]- 173.058386 137.2
[M]+ 152.08317142 133.4
[M]- 152.08426858 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

patents stripe