CID 100698947

Methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(C)(C1=NOC=C1C(=O)OC)N
InChI
InChI=1S/C8H12N2O3/c1-8(2,9)6-5(4-13-10-6)7(11)12-3/h4H,9H2,1-3H3
InChIKey
FGWZYWMASUOKCT-UHFFFAOYSA-N
Compound name
methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 138.6
[M+Na]+ 207.07402 146.8
[M-H]- 183.07752 141.7
[M+NH4]+ 202.11862 157.3
[M+K]+ 223.04796 147.6
[M+H-H2O]+ 167.08206 132.8
[M+HCOO]- 229.08300 160.7
[M+CH3COO]- 243.09865 182.1
[M+Na-2H]- 205.05947 144.2
[M]+ 184.08425 140.9
[M]- 184.08535 140.9
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.