CID 67124297

[3-(propan-2-yl)-1,2-oxazol-4-yl]methanamine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)C1=NOC=C1CN
InChI
InChI=1S/C7H12N2O/c1-5(2)7-6(3-8)4-10-9-7/h4-5H,3,8H2,1-2H3
InChIKey
ZYSROTXGZVWOCT-UHFFFAOYSA-N
Compound name
(3-propan-2-yl-1,2-oxazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.7
[M+Na]+ 163.084178 137.7
[M-H]- 139.087684 132.4
[M+NH4]+ 158.128783 150.2
[M+K]+ 179.058118 137.8
[M+H-H2O]+ 123.092220 123.5
[M+HCOO]- 185.093161 153.0
[M+CH3COO]- 199.108811 176.0
[M+Na-2H]- 161.069626 134.8
[M]+ 140.09441142 130.0
[M]- 140.09550858 130.0
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