CID 12474694

2-methylcycloprop-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C5H6O2
SMILES
CC1=CC1C(=O)O
InChI
InChI=1S/C5H6O2/c1-3-2-4(3)5(6)7/h2,4H,1H3,(H,6,7)
InChIKey
RONDSBCNTXHHBV-UHFFFAOYSA-N
Compound name
2-methylcycloprop-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

98.03678 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 115.0
[M+Na]+ 121.02600 126.1
[M-H]- 97.029504 119.4
[M+NH4]+ 116.07060 133.1
[M+K]+ 136.99994 124.3
[M+H-H2O]+ 81.034040 110.2
[M+HCOO]- 143.03498 139.1
[M+CH3COO]- 157.05063 168.5
[M+Na-2H]- 119.01145 121.9
[M]+ 98.036231 118.6
[M]- 98.037329 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe