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

0
Patents

152.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.8
[M+Na]+ 175.08418 140.8
[M-H]- 151.08768 137.5
[M+NH4]+ 170.12878 146.0
[M+K]+ 191.05812 138.8
[M+H-H2O]+ 135.09222 123.9
[M+HCOO]- 197.09316 155.1
[M+CH3COO]- 211.10881 180.2
[M+Na-2H]- 173.06963 137.2
[M]+ 152.09441 133.5
[M]- 152.09551 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

No patent data available for this compound.