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]+ 194.081176 135.4
[M+Na]+ 216.063118 140.3
[M-H]- 192.066624 137.5
[M+NH4]+ 211.107723 150.6
[M+K]+ 232.037058 142.9
[M+H-H2O]+ 176.071160 129.9
[M+HCOO]- 238.072101 151.0
[M+CH3COO]- 252.087751 179.3
[M+Na-2H]- 214.048566 142.2
[M]+ 193.07335142 129.6
[M]- 193.07444858 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.