CID 294288

100482-78-8

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(CCC1=CC=CC=C1)NC2=NCCO2
InChI
InChI=1S/C13H18N2O/c1-11(15-13-14-9-10-16-13)7-8-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,15)
InChIKey
LMZBCBIEZJGBHU-UHFFFAOYSA-N
Compound name
N-(4-phenylbutan-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.8
[M+Na]+ 241.13112 155.7
[M-H]- 217.13462 156.1
[M+NH4]+ 236.17572 167.7
[M+K]+ 257.10506 154.2
[M+H-H2O]+ 201.13916 142.7
[M+HCOO]- 263.14010 173.0
[M+CH3COO]- 277.15575 188.9
[M+Na-2H]- 239.11657 155.8
[M]+ 218.14135 150.0
[M]- 218.14245 150.0
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

No patent data available for this compound.