CID 99873

2-methylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1CC1C(=O)O
InChI
InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)
InChIKey
AYEGPMGNMOIHDL-UHFFFAOYSA-N
Compound name
2-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1547
Patents

100.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 117.0
[M+Na]+ 123.04165 127.2
[M-H]- 99.045154 121.1
[M+NH4]+ 118.08625 135.0
[M+K]+ 139.01559 125.6
[M+H-H2O]+ 83.049690 112.3
[M+HCOO]- 145.05063 139.7
[M+CH3COO]- 159.06628 168.9
[M+Na-2H]- 121.02710 123.0
[M]+ 100.05188 119.3
[M]- 100.05298 119.3
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