CID 316891

2-methylcyclopropane-1-carbonyl chloride

Structural Information

Molecular Formula
C5H7ClO
SMILES
CC1CC1C(=O)Cl
InChI
InChI=1S/C5H7ClO/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3
InChIKey
KNSMKLZZQPGJRN-UHFFFAOYSA-N
Compound name
2-methylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

118.01854 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.025816 118.0
[M+Na]+ 141.007758 129.0
[M-H]- 117.011264 123.1
[M+NH4]+ 136.052363 136.7
[M+K]+ 156.981698 126.2
[M+H-H2O]+ 101.015800 113.8
[M+HCOO]- 163.016741 137.5
[M+CH3COO]- 177.032391 173.4
[M+Na-2H]- 138.993206 124.1
[M]+ 118.01799142 122.2
[M]- 118.01908858 122.2
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