CID 15880725

261350-47-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CCC2=NOC(=C2C1)C(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)
InChIKey
RZZGDFMRRLFKRP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

167.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.7
[M+Na]+ 190.04746 139.3
[M-H]- 166.05096 134.1
[M+NH4]+ 185.09206 151.6
[M+K]+ 206.02140 138.8
[M+H-H2O]+ 150.05550 126.1
[M+HCOO]- 212.05644 150.5
[M+CH3COO]- 226.07209 173.7
[M+Na-2H]- 188.03291 137.6
[M]+ 167.05769 130.6
[M]- 167.05879 130.6
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