CID 25220780

1000932-34-2

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=CC(=NO1)C2CCCN2
InChI
InChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChIKey
QHCHHBRSMFGRQX-UHFFFAOYSA-N
Compound name
5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

152.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.0
[M+Na]+ 175.08418 142.6
[M+NH4]+ 170.12878 140.2
[M+K]+ 191.05812 141.3
[M-H]- 151.08768 134.7
[M+Na-2H]- 173.06963 137.1
[M]+ 152.09441 134.1
[M]- 152.09551 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe