CID 24254943

[5-(4-methylphenyl)-1,3-oxazol-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC=C(C=C1)C2=CN=C(O2)CN
InChI
InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,6,12H2,1H3
InChIKey
KHNHSJOUAATFPQ-UHFFFAOYSA-N
Compound name
[5-(4-methylphenyl)-1,3-oxazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.7
[M+Na]+ 211.084178 148.7
[M-H]- 187.087684 146.0
[M+NH4]+ 206.128783 158.3
[M+K]+ 227.058118 146.6
[M+H-H2O]+ 171.092220 132.6
[M+HCOO]- 233.093161 164.4
[M+CH3COO]- 247.108811 183.9
[M+Na-2H]- 209.069626 145.6
[M]+ 188.09441142 140.2
[M]- 188.09550858 140.2
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.