CID 12789939

1-methylcyclopropanecarbonyl chloride

Structural Information

Molecular Formula
C5H7ClO
SMILES
CC1(CC1)C(=O)Cl
InChI
InChI=1S/C5H7ClO/c1-5(2-3-5)4(6)7/h2-3H2,1H3
InChIKey
GTDXPJJHRWOFDI-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

118.01854 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 120.8
[M+Na]+ 141.00776 134.3
[M+NH4]+ 136.05236 132.0
[M+K]+ 156.98170 128.2
[M-H]- 117.01126 128.9
[M+Na-2H]- 138.99321 130.7
[M]+ 118.01799 126.5
[M]- 118.01909 126.5
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