CID 44791573

933708-57-7

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1COC2=CC=CC=C2N1CC(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)7-11-5-6-14-9-4-2-1-3-8(9)11/h1-4H,5-7H2,(H,12,13)
InChIKey
MKQDLENGVAZKHV-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

193.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.9
[M+Na]+ 216.063118 145.7
[M-H]- 192.066624 140.9
[M+NH4]+ 211.107723 155.8
[M+K]+ 232.037058 144.6
[M+H-H2O]+ 176.071160 132.2
[M+HCOO]- 238.072101 156.2
[M+CH3COO]- 252.087751 179.8
[M+Na-2H]- 214.048566 146.3
[M]+ 193.07335142 137.7
[M]- 193.07444858 137.7
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