CID 79886117

1,4-oxazepane-4-carbonyl chloride

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
C1CN(CCOC1)C(=O)Cl
InChI
InChI=1S/C6H10ClNO2/c7-6(9)8-2-1-4-10-5-3-8/h1-5H2
InChIKey
AYQXZOBTKKSJAV-UHFFFAOYSA-N
Compound name
1,4-oxazepane-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.04001 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 125.1
[M+Na]+ 186.029228 130.3
[M-H]- 162.032734 128.0
[M+NH4]+ 181.073833 142.4
[M+K]+ 202.003168 133.9
[M+H-H2O]+ 146.037270 119.1
[M+HCOO]- 208.038211 138.9
[M+CH3COO]- 222.053861 175.5
[M+Na-2H]- 184.014676 131.2
[M]+ 163.03946142 120.8
[M]- 163.04055858 120.8
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