CID 53441597

2-(5-amino-1,2-oxazol-3-yl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C)(CO)C1=NOC(=C1)N
InChI
InChI=1S/C7H12N2O2/c1-7(2,4-10)5-3-6(8)11-9-5/h3,10H,4,8H2,1-2H3
InChIKey
QNJAGQWEIIKATE-UHFFFAOYSA-N
Compound name
2-(5-amino-1,2-oxazol-3-yl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

156.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 132.5
[M+Na]+ 179.07909 140.7
[M-H]- 155.08259 134.1
[M+NH4]+ 174.12369 151.8
[M+K]+ 195.05303 140.4
[M+H-H2O]+ 139.08713 127.1
[M+HCOO]- 201.08807 154.0
[M+CH3COO]- 215.10372 175.0
[M+Na-2H]- 177.06454 139.2
[M]+ 156.08932 132.6
[M]- 156.09042 132.6
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