CID 83672274

1,4-oxazepane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1CNCCOC1C(=O)O
InChI
InChI=1S/C6H11NO3/c8-6(9)5-1-2-7-3-4-10-5/h5,7H,1-4H2,(H,8,9)
InChIKey
ITRSUFTVVQAKQI-UHFFFAOYSA-N
Compound name
1,4-oxazepane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

145.0739 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 124.0
[M+Na]+ 168.063118 126.8
[M-H]- 144.066624 124.6
[M+NH4]+ 163.107723 139.5
[M+K]+ 184.037058 131.2
[M+H-H2O]+ 128.071160 118.0
[M+HCOO]- 190.072101 139.3
[M+CH3COO]- 204.087751 169.5
[M+Na-2H]- 166.048566 129.4
[M]+ 145.07335142 115.9
[M]- 145.07444858 115.9
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