CID 21116141

2-{bicyclo[2.2.1]hept-5-en-2-yl}prop-2-enoic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
C=C(C1CC2CC1C=C2)C(=O)O
InChI
InChI=1S/C10H12O2/c1-6(10(11)12)9-5-7-2-3-8(9)4-7/h2-3,7-9H,1,4-5H2,(H,11,12)
InChIKey
CLLPFPUXZSRSMI-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

164.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 138.5
[M+Na]+ 187.072938 145.4
[M-H]- 163.076444 140.1
[M+NH4]+ 182.117543 163.4
[M+K]+ 203.046878 143.0
[M+H-H2O]+ 147.080980 134.7
[M+HCOO]- 209.081921 158.1
[M+CH3COO]- 223.097571 176.7
[M+Na-2H]- 185.058386 139.8
[M]+ 164.08317142 136.7
[M]- 164.08426858 136.7
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

patents stripe