CID 58393

2-(alpha,2,5-trimethylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1=CC(=C(C=C1)C)C(C)NC2=NCCO2
InChI
InChI=1S/C13H18N2O/c1-9-4-5-10(2)12(8-9)11(3)15-13-14-6-7-16-13/h4-5,8,11H,6-7H2,1-3H3,(H,14,15)
InChIKey
BQZYSCMFDMDYNC-UHFFFAOYSA-N
Compound name
N-[1-(2,5-dimethylphenyl)ethyl]-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.1
[M+Na]+ 241.13112 157.9
[M-H]- 217.13462 157.3
[M+NH4]+ 236.17572 168.6
[M+K]+ 257.10506 156.4
[M+H-H2O]+ 201.13916 143.6
[M+HCOO]- 263.14010 173.2
[M+CH3COO]- 277.15575 191.2
[M+Na-2H]- 239.11657 154.7
[M]+ 218.14135 151.1
[M]- 218.14245 151.1
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.