CID 218360

N-(2-methylnaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3
InChI
InChI=1S/C14H14N2O/c1-10-6-7-11-4-2-3-5-12(11)13(10)16-14-15-8-9-17-14/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
MJKOTIUTQZMRJL-UHFFFAOYSA-N
Compound name
N-(2-methylnaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 149.0
[M+Na]+ 249.099828 157.2
[M-H]- 225.103334 156.2
[M+NH4]+ 244.144433 167.1
[M+K]+ 265.073768 154.2
[M+H-H2O]+ 209.107870 141.3
[M+HCOO]- 271.108811 171.7
[M+CH3COO]- 285.124461 162.1
[M+Na-2H]- 247.085276 156.2
[M]+ 226.11006142 148.8
[M]- 226.11115858 148.8
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.