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

3
Patents

165.05565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06293 134.0
[M+Na]+ 188.04487 141.0
[M-H]- 164.04837 134.3
[M+NH4]+ 183.08947 155.3
[M+K]+ 204.01881 139.8
[M+H-H2O]+ 148.05291 130.1
[M+HCOO]- 210.05385 153.1
[M+CH3COO]- 224.06950 179.9
[M+Na-2H]- 186.03032 138.3
[M]+ 165.05510 137.1
[M]- 165.05620 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