CID 84075557

Methyl 1,4-oxazepane-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)C1CCNCCO1
InChI
InChI=1S/C7H13NO3/c1-10-7(9)6-2-3-8-4-5-11-6/h6,8H,2-5H2,1H3
InChIKey
LYGKFJYDSSLHMS-UHFFFAOYSA-N
Compound name
methyl 1,4-oxazepane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 127.5
[M+Na]+ 182.07876 130.4
[M-H]- 158.08226 129.3
[M+NH4]+ 177.12336 143.3
[M+K]+ 198.05270 135.4
[M+H-H2O]+ 142.08680 121.3
[M+HCOO]- 204.08774 144.0
[M+CH3COO]- 218.10339 174.1
[M+Na-2H]- 180.06421 132.9
[M]+ 159.08899 121.5
[M]- 159.09009 121.5
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.