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]+ 197.07431 142.0
[M+Na]+ 219.05625 149.5
[M-H]- 195.05975 148.6
[M+NH4]+ 214.10085 162.6
[M+K]+ 235.03019 148.9
[M+H-H2O]+ 179.06429 135.8
[M+HCOO]- 241.06523 161.4
[M+CH3COO]- 255.08088 155.5
[M+Na-2H]- 217.04170 143.5
[M]+ 196.06648 143.2
[M]- 196.06758 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.