CID 137699027

2018119-80-5

Structural Information

Molecular Formula
C9H12O2
SMILES
C=CCC1(CC=CC1)C(=O)O
InChI
InChI=1S/C9H12O2/c1-2-5-9(8(10)11)6-3-4-7-9/h2-4H,1,5-7H2,(H,10,11)
InChIKey
UECNTAYRDVQABL-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 133.1
[M+Na]+ 175.07294 140.1
[M-H]- 151.07644 135.2
[M+NH4]+ 170.11754 157.0
[M+K]+ 191.04688 138.1
[M+H-H2O]+ 135.08098 129.0
[M+HCOO]- 197.08192 155.2
[M+CH3COO]- 211.09757 171.7
[M+Na-2H]- 173.05839 137.4
[M]+ 152.08317 131.4
[M]- 152.08427 131.4
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.