CID 82074673

2-(5-cyclopropyl-1,2-oxazol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CC1C2=CC(=NO2)CCN
InChI
InChI=1S/C8H12N2O/c9-4-3-7-5-8(11-10-7)6-1-2-6/h5-6H,1-4,9H2
InChIKey
SEMXFXJICAHPHX-UHFFFAOYSA-N
Compound name
2-(5-cyclopropyl-1,2-oxazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 130.8
[M+Na]+ 175.084178 140.8
[M-H]- 151.087684 137.5
[M+NH4]+ 170.128783 146.0
[M+K]+ 191.058118 138.8
[M+H-H2O]+ 135.092220 123.9
[M+HCOO]- 197.093161 155.1
[M+CH3COO]- 211.108811 180.2
[M+Na-2H]- 173.069626 137.2
[M]+ 152.09441142 133.5
[M]- 152.09550858 133.5
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