CID 3269066

3-chloro-n,n-dimethylpropanamide

Structural Information

Molecular Formula
C5H10ClNO
SMILES
CN(C)C(=O)CCCl
InChI
InChI=1S/C5H10ClNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3
InChIKey
OZJYYPUOUHCAGX-UHFFFAOYSA-N
Compound name
3-chloro-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

135.04509 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.052366 126.0
[M+Na]+ 158.034308 133.9
[M-H]- 134.037814 127.9
[M+NH4]+ 153.078913 149.2
[M+K]+ 174.008248 133.4
[M+H-H2O]+ 118.042350 122.3
[M+HCOO]- 180.043291 146.6
[M+CH3COO]- 194.058941 177.6
[M+Na-2H]- 156.019756 131.4
[M]+ 135.04454142 129.2
[M]- 135.04563858 129.2
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