CID 16638605

Zpfqphsccfrmda-uhfffaoysa-n

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC(C)(C)C1=NOC(=C1)CC(=O)O
InChI
InChI=1S/C9H13NO3/c1-9(2,3)7-4-6(13-10-7)5-8(11)12/h4H,5H2,1-3H3,(H,11,12)
InChIKey
ZPFQPHSCCFRMDA-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 138.9
[M+Na]+ 206.07876 147.2
[M-H]- 182.08226 141.0
[M+NH4]+ 201.12336 157.6
[M+K]+ 222.05270 147.3
[M+H-H2O]+ 166.08680 133.8
[M+HCOO]- 228.08774 158.8
[M+CH3COO]- 242.10339 178.2
[M+Na-2H]- 204.06421 144.2
[M]+ 183.08899 141.6
[M]- 183.09009 141.6
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