CID 379603

Dtxsid50907095

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(C)(CC1=CC=CC=C1)NC2=NCCO2
InChI
InChI=1S/C13H18N2O/c1-13(2,15-12-14-8-9-16-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChIKey
APRQMFJISQQHOT-UHFFFAOYSA-N
Compound name
N-(2-methyl-1-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

218.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.2
[M+Na]+ 241.131118 155.8
[M-H]- 217.134624 155.7
[M+NH4]+ 236.175723 167.2
[M+K]+ 257.105058 154.3
[M+H-H2O]+ 201.139160 142.7
[M+HCOO]- 263.140101 171.7
[M+CH3COO]- 277.155751 188.4
[M+Na-2H]- 239.116566 157.2
[M]+ 218.14135142 149.5
[M]- 218.14244858 149.5
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.