CID 532064

2-chloro-n-[(oxolan-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
C1CC(OC1)CNC(=O)CCl
InChI
InChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10)
InChIKey
OINOJHHVQJESIB-UHFFFAOYSA-N
Compound name
2-chloro-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

177.05565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06293 138.9
[M+Na]+ 200.04487 144.8
[M-H]- 176.04837 142.3
[M+NH4]+ 195.08947 159.6
[M+K]+ 216.01881 143.5
[M+H-H2O]+ 160.05291 134.0
[M+HCOO]- 222.05385 156.9
[M+CH3COO]- 236.06950 178.0
[M+Na-2H]- 198.03032 143.2
[M]+ 177.05510 138.9
[M]- 177.05620 138.9
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