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]+ 209.07431 143.0
[M+Na]+ 231.05625 151.2
[M-H]- 207.05975 148.9
[M+NH4]+ 226.10085 161.2
[M+K]+ 247.03019 148.7
[M+H-H2O]+ 191.06429 136.1
[M+HCOO]- 253.06523 161.6
[M+CH3COO]- 267.08088 156.1
[M+Na-2H]- 229.04170 146.0
[M]+ 208.06648 143.6
[M]- 208.06758 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.