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]+ 194.08118 139.6
[M+Na]+ 216.06312 147.0
[M-H]- 192.06662 140.7
[M+NH4]+ 211.10772 156.1
[M+K]+ 232.03706 145.0
[M+H-H2O]+ 176.07116 133.4
[M+HCOO]- 238.07210 155.4
[M+CH3COO]- 252.08775 178.6
[M+Na-2H]- 214.04857 145.8
[M]+ 193.07335 137.0
[M]- 193.07445 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.