CID 59559

2-(m-methylthioanilino)-2-oxazoline

Structural Information

Molecular Formula
C10H12N2OS
SMILES
CSC1=CC=CC(=C1)NC2=NCCO2
InChI
InChI=1S/C10H12N2OS/c1-14-9-4-2-3-8(7-9)12-10-11-5-6-13-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey
PGERESVFZXINFY-UHFFFAOYSA-N
Compound name
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 143.0
[M+Na]+ 231.05625 151.3
[M-H]- 207.05975 149.5
[M+NH4]+ 226.10085 161.6
[M+K]+ 247.03019 149.1
[M+H-H2O]+ 191.06429 136.1
[M+HCOO]- 253.06523 162.3
[M+CH3COO]- 267.08088 156.3
[M+Na-2H]- 229.04170 147.0
[M]+ 208.06648 144.5
[M]- 208.06758 144.5
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.