CID 80503462

1369156-25-1

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1CC1C2=NC3=C(O2)C=C(C=C3)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-11(14)7-3-4-8-9(5-7)15-10(12-8)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKey
KJHWEGKKZFHJEP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-benzoxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.8
[M+Na]+ 226.04746 153.0
[M-H]- 202.05096 148.1
[M+NH4]+ 221.09206 154.8
[M+K]+ 242.02140 149.7
[M+H-H2O]+ 186.05550 134.5
[M+HCOO]- 248.05644 162.9
[M+CH3COO]- 262.07209 154.7
[M+Na-2H]- 224.03291 147.4
[M]+ 203.05769 146.4
[M]- 203.05879 146.4
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