CID 145909711

2377032-85-2

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1COCC2=C(C=CC=C2N1)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)7-2-1-3-9-8(7)6-14-5-4-11-9/h1-3,11H,4-6H2,(H,12,13)
InChIKey
VGVAUCBBGUVFPJ-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrahydro-4,1-benzoxazepine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 135.4
[M+Na]+ 216.06312 140.3
[M-H]- 192.06662 137.5
[M+NH4]+ 211.10772 150.6
[M+K]+ 232.03706 142.9
[M+H-H2O]+ 176.07116 129.9
[M+HCOO]- 238.07210 151.0
[M+CH3COO]- 252.08775 179.3
[M+Na-2H]- 214.04857 142.2
[M]+ 193.07335 129.6
[M]- 193.07445 129.6
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.