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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.06552	144.6
[M+Na]+	226.04746	159.4
[M+NH4]+	221.09206	153.3
[M+K]+	242.02140	157.1
[M-H]-	202.05096	154.9
[M+Na-2H]-	224.03291	153.0
[M]+	203.05769	150.7
[M]-	203.05879	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe