CID 136574193

2174001-35-3

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CC2(CC1C2C(=O)O)C3=CN=CO3
InChI
InChI=1S/C10H11NO3/c12-9(13)8-6-1-2-10(8,3-6)7-4-11-5-14-7/h4-6,8H,1-3H2,(H,12,13)
InChIKey
BGFPYORHQKTTDQ-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-5-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.1
[M+Na]+ 216.06312 146.4
[M-H]- 192.06662 143.3
[M+NH4]+ 211.10772 160.4
[M+K]+ 232.03706 148.6
[M+H-H2O]+ 176.07116 133.8
[M+HCOO]- 238.07210 156.7
[M+CH3COO]- 252.08775 152.8
[M+Na-2H]- 214.04857 145.7
[M]+ 193.07335 153.7
[M]- 193.07445 153.7
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

No patent data available for this compound.