CID 81326

1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1(CC1)C(=O)O
InChI
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
DIZKLZKLNKQFGB-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3595
Patents

100.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 118.6
[M+Na]+ 123.04165 128.5
[M-H]- 99.045154 122.7
[M+NH4]+ 118.08625 138.2
[M+K]+ 139.01559 127.9
[M+H-H2O]+ 83.049690 114.9
[M+HCOO]- 145.05063 140.9
[M+CH3COO]- 159.06628 167.4
[M+Na-2H]- 121.02710 126.2
[M]+ 100.05188 120.9
[M]- 100.05298 120.9
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