CID 222440

N-tert-butyl-2-chloroacetamide

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CC(C)(C)NC(=O)CCl
InChI
InChI=1S/C6H12ClNO/c1-6(2,3)8-5(9)4-7/h4H2,1-3H3,(H,8,9)
InChIKey
NQVPSGXLCXZSTB-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

469
Patents

149.06075 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 131.1
[M+Na]+ 172.049968 139.0
[M-H]- 148.053474 131.8
[M+NH4]+ 167.094573 153.4
[M+K]+ 188.023908 137.1
[M+H-H2O]+ 132.058010 128.0
[M+HCOO]- 194.058951 149.4
[M+CH3COO]- 208.074601 176.6
[M+Na-2H]- 170.035416 137.3
[M]+ 149.06020142 132.8
[M]- 149.06129858 132.8
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