CID 3161246

2-chloro-n-(1-methoxypropan-2-yl)acetamide

Structural Information

Molecular Formula
C6H12ClNO2
SMILES
CC(COC)NC(=O)CCl
InChI
InChI=1S/C6H12ClNO2/c1-5(4-10-2)8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
KVDXSPZBMCWJLL-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-methoxypropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.05565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.062926 134.0
[M+Na]+ 188.044868 141.0
[M-H]- 164.048374 134.3
[M+NH4]+ 183.089473 155.3
[M+K]+ 204.018808 139.8
[M+H-H2O]+ 148.052910 130.1
[M+HCOO]- 210.053851 153.1
[M+CH3COO]- 224.069501 179.9
[M+Na-2H]- 186.030316 138.3
[M]+ 165.05510142 137.1
[M]- 165.05619858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe