CID 12789939

16480-05-0

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

666
Patents

118.01854 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.025816 118.9
[M+Na]+ 141.007758 129.5
[M-H]- 117.011264 124.0
[M+NH4]+ 136.052363 139.1
[M+K]+ 156.981698 127.7
[M+H-H2O]+ 101.015800 115.7
[M+HCOO]- 163.016741 138.0
[M+CH3COO]- 177.032391 171.9
[M+Na-2H]- 138.993206 126.5
[M]+ 118.01799142 123.0
[M]- 118.01908858 123.0
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