CID 139013

2-chloro-n,n-bis(propan-2-yl)acetamide

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CC(C)N(C(C)C)C(=O)CCl
InChI
InChI=1S/C8H16ClNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3
InChIKey
CPQZQZNYTZXXBB-UHFFFAOYSA-N
Compound name
2-chloro-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

177.09204 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09932 139.8
[M+Na]+ 200.08126 146.1
[M-H]- 176.08476 141.5
[M+NH4]+ 195.12586 161.3
[M+K]+ 216.05520 145.6
[M+H-H2O]+ 160.08930 135.8
[M+HCOO]- 222.09024 157.6
[M+CH3COO]- 236.10589 188.4
[M+Na-2H]- 198.06671 141.2
[M]+ 177.09149 143.0
[M]- 177.09259 143.0
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