CID 10655404

134372-61-5

Structural Information

Molecular Formula
C10H11NO3
SMILES
CN1CCOC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO3/c1-11-5-6-14-9-7(10(12)13)3-2-4-8(9)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
LOMBTNSVSZTUDK-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.9
[M+Na]+ 216.063118 146.7
[M-H]- 192.066624 141.4
[M+NH4]+ 211.107723 156.1
[M+K]+ 232.037058 145.6
[M+H-H2O]+ 176.071160 132.4
[M+HCOO]- 238.072101 156.2
[M+CH3COO]- 252.087751 181.0
[M+Na-2H]- 214.048566 145.6
[M]+ 193.07335142 138.1
[M]- 193.07444858 138.1
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

patents stripe