CID 84664541

2172256-33-4

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1COC2=CC=CC(=C2CN1)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)7-2-1-3-9-8(7)6-11-4-5-14-9/h1-3,11H,4-6H2,(H,12,13)
InChIKey
AZOZKKWTOKEQDO-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1,4-benzoxazepine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.0
[M+Na]+ 216.06312 148.5
[M+NH4]+ 211.10772 145.7
[M+K]+ 232.03706 145.6
[M-H]- 192.06662 140.3
[M+Na-2H]- 214.04857 142.9
[M]+ 193.07335 140.5
[M]- 193.07445 140.5
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.