CID 42958532

2-chloro-n-(2-oxoazepan-3-yl)acetamide

Structural Information

Molecular Formula
C8H13ClN2O2
SMILES
C1CCNC(=O)C(C1)NC(=O)CCl
InChI
InChI=1S/C8H13ClN2O2/c9-5-7(12)11-6-3-1-2-4-10-8(6)13/h6H,1-5H2,(H,10,13)(H,11,12)
InChIKey
BNYSTUVPISFYQV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-oxoazepan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06656 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07384 139.3
[M+Na]+ 227.05578 143.7
[M-H]- 203.05928 140.5
[M+NH4]+ 222.10038 155.5
[M+K]+ 243.02972 145.1
[M+H-H2O]+ 187.06382 132.9
[M+HCOO]- 249.06476 153.1
[M+CH3COO]- 263.08041 183.6
[M+Na-2H]- 225.04123 142.5
[M]+ 204.06601 132.4
[M]- 204.06711 132.4
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

No patent data available for this compound.