CID 1235415

34172-93-5

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC1=C2C(=CC=C1)C(=NO2)CC(=O)O
InChI
InChI=1S/C10H9NO3/c1-6-3-2-4-7-8(5-9(12)13)11-14-10(6)7/h2-4H,5H2,1H3,(H,12,13)
InChIKey
ZIDJLIJDLKCTSV-UHFFFAOYSA-N
Compound name
2-(7-methyl-1,2-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 136.7
[M+Na]+ 214.04746 147.5
[M-H]- 190.05096 140.3
[M+NH4]+ 209.09206 156.2
[M+K]+ 230.02140 145.9
[M+H-H2O]+ 174.05550 131.0
[M+HCOO]- 236.05644 159.2
[M+CH3COO]- 250.07209 179.9
[M+Na-2H]- 212.03291 143.8
[M]+ 191.05769 141.0
[M]- 191.05879 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe