CID 57855

Benzylamine, alpha,alpha-dimethyl-n-(2-oxazolinyl)-

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(C)(C1=CC=CC=C1)NC2=NCCO2
InChI
InChI=1S/C12H16N2O/c1-12(2,10-6-4-3-5-7-10)14-11-13-8-9-15-11/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKey
KEHKOXVLHWSTAX-UHFFFAOYSA-N
Compound name
N-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.5
[M+Na]+ 227.115488 151.6
[M-H]- 203.118994 151.3
[M+NH4]+ 222.160093 163.2
[M+K]+ 243.089428 150.3
[M+H-H2O]+ 187.123530 138.3
[M+HCOO]- 249.124471 167.4
[M+CH3COO]- 263.140121 185.4
[M+Na-2H]- 225.100936 153.1
[M]+ 204.12572142 144.5
[M]- 204.12681858 144.5
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.