CID 2758570

2-(dimethyl-1,2-oxazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=C(C(=NO1)C)CCN
InChI
InChI=1S/C7H12N2O/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3
InChIKey
HOJDTRKLAOLNIT-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

140.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 128.7
[M+Na]+ 163.084178 137.9
[M-H]- 139.087684 131.7
[M+NH4]+ 158.128783 149.6
[M+K]+ 179.058118 137.6
[M+H-H2O]+ 123.092220 122.8
[M+HCOO]- 185.093161 153.0
[M+CH3COO]- 199.108811 176.3
[M+Na-2H]- 161.069626 134.3
[M]+ 140.09441142 130.1
[M]- 140.09550858 130.1
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