CID 82417091

3-methyl-5-(pyrrolidin-3-yl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=NOC(=C1)C2CCNC2
InChI
InChI=1S/C8H12N2O/c1-6-4-8(11-10-6)7-2-3-9-5-7/h4,7,9H,2-3,5H2,1H3
InChIKey
UWQBOXVVGPLCRA-UHFFFAOYSA-N
Compound name
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.4
[M+Na]+ 175.084178 138.8
[M-H]- 151.087684 134.7
[M+NH4]+ 170.128783 151.2
[M+K]+ 191.058118 138.0
[M+H-H2O]+ 135.092220 124.6
[M+HCOO]- 197.093161 151.6
[M+CH3COO]- 211.108811 144.7
[M+Na-2H]- 173.069626 134.9
[M]+ 152.09441142 128.6
[M]- 152.09550858 128.6
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

No patent data available for this compound.