CID 39442

(2-(phenylthio)ethyl)guanidine

Structural Information

Molecular Formula
C9H13N3S
SMILES
C1=CC=C(C=C1)SCCN=C(N)N
InChI
InChI=1S/C9H13N3S/c10-9(11)12-6-7-13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,10,11,12)
InChIKey
ISXGRENLXFCZDO-UHFFFAOYSA-N
Compound name
2-(2-phenylsulfanylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08302 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.090296 140.7
[M+Na]+ 218.072238 146.3
[M-H]- 194.075744 144.4
[M+NH4]+ 213.116843 159.7
[M+K]+ 234.046178 142.9
[M+H-H2O]+ 178.080280 133.5
[M+HCOO]- 240.081221 162.1
[M+CH3COO]- 254.096871 190.5
[M+Na-2H]- 216.057686 144.1
[M]+ 195.08247142 138.9
[M]- 195.08356858 138.9
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.