CID 218669

41136-03-2

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1C(OC(=N1)N)CSC2=CC=CC=C2
InChI
InChI=1S/C10H12N2OS/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,12)
InChIKey
DSXNAAVBZUNNJI-UHFFFAOYSA-N
Compound name
5-(phenylsulfanylmethyl)-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 143.0
[M+Na]+ 231.056248 151.2
[M-H]- 207.059754 148.9
[M+NH4]+ 226.100853 161.2
[M+K]+ 247.030188 148.7
[M+H-H2O]+ 191.064290 136.1
[M+HCOO]- 253.065231 161.6
[M+CH3COO]- 267.080881 156.1
[M+Na-2H]- 229.041696 146.0
[M]+ 208.06648142 143.6
[M]- 208.06757858 143.6
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.