CID 75886

2-chloro-n,n-dimethylacetamide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CN(C)C(=O)CCl
InChI
InChI=1S/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3
InChIKey
XBPPLECAZBTMMK-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4264
Patents

121.02944 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 120.8
[M+Na]+ 144.01866 131.7
[M+NH4]+ 139.06326 129.5
[M+K]+ 159.99260 126.6
[M-H]- 120.02216 121.1
[M+Na-2H]- 142.00411 125.6
[M]+ 121.02889 122.5
[M]- 121.02999 122.5
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