CID 14530764

1-methylcyclopent-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1(CC=CC1)C(=O)O
InChI
InChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2-3H,4-5H2,1H3,(H,8,9)
InChIKey
SGNHBZBGAUUXFH-UHFFFAOYSA-N
Compound name
1-methylcyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 132.7
[M-H]- 125.06080 127.6
[M+NH4]+ 144.10190 150.1
[M+K]+ 165.03124 131.8
[M+H-H2O]+ 109.06534 121.3
[M+HCOO]- 171.06628 147.7
[M+CH3COO]- 185.08193 166.6
[M+Na-2H]- 147.04275 130.5
[M]+ 126.06753 123.4
[M]- 126.06863 123.4
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