CID 165470868

2137602-97-0

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=C(C=CC2=C1NCCO2)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-6-7(10(12)13)2-3-8-9(6)11-4-5-14-8/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKey
GDXRTKPKZYVONS-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.6
[M+Na]+ 216.063118 147.0
[M-H]- 192.066624 140.7
[M+NH4]+ 211.107723 156.1
[M+K]+ 232.037058 145.0
[M+H-H2O]+ 176.071160 133.4
[M+HCOO]- 238.072101 155.4
[M+CH3COO]- 252.087751 178.6
[M+Na-2H]- 214.048566 145.8
[M]+ 193.07335142 137.0
[M]- 193.07444858 137.0
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.