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]+ 153.090996 133.1
[M+Na]+ 175.072938 140.1
[M-H]- 151.076444 135.2
[M+NH4]+ 170.117543 157.0
[M+K]+ 191.046878 138.1
[M+H-H2O]+ 135.080980 129.0
[M+HCOO]- 197.081921 155.2
[M+CH3COO]- 211.097571 171.7
[M+Na-2H]- 173.058386 137.4
[M]+ 152.08317142 131.4
[M]- 152.08426858 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.