CID 215273

2-(alpha-methyl-2-thenylamino)-2-oxazoline

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC(C1=CC=CS1)NC2=NCCO2
InChI
InChI=1S/C9H12N2OS/c1-7(8-3-2-6-13-8)11-9-10-4-5-12-9/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChIKey
JCTNPWVURHOJTC-UHFFFAOYSA-N
Compound name
N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 142.0
[M+Na]+ 219.056248 149.5
[M-H]- 195.059754 148.6
[M+NH4]+ 214.100853 162.6
[M+K]+ 235.030188 148.9
[M+H-H2O]+ 179.064290 135.8
[M+HCOO]- 241.065231 161.4
[M+CH3COO]- 255.080881 155.5
[M+Na-2H]- 217.041696 143.5
[M]+ 196.06648142 143.2
[M]- 196.06757858 143.2
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.