CID 76122

Methyl cyclopropanecarboxylate

Structural Information

Molecular Formula
C5H8O2
SMILES
COC(=O)C1CC1
InChI
InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
InChIKey
PKAHQJNJPDVTDP-UHFFFAOYSA-N
Compound name
methyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3844
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 119.7
[M+Na]+ 123.04165 131.8
[M+NH4]+ 118.08625 128.7
[M+K]+ 139.01559 128.4
[M-H]- 99.045154 127.2
[M+Na-2H]- 121.02710 127.5
[M]+ 100.05188 124.4
[M]- 100.05298 124.4
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