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]+ 219.149176 151.1
[M+Na]+ 241.131118 157.9
[M-H]- 217.134624 157.3
[M+NH4]+ 236.175723 168.6
[M+K]+ 257.105058 156.4
[M+H-H2O]+ 201.139160 143.6
[M+HCOO]- 263.140101 173.2
[M+CH3COO]- 277.155751 191.2
[M+Na-2H]- 239.116566 154.7
[M]+ 218.14135142 151.1
[M]- 218.14244858 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.