CID 3012612

1-(4-cyclohexylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C13H19N3S
SMILES
C1CCC(CC1)SC2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C13H19N3S/c14-13(15)16-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H4,14,15,16)
InChIKey
KBAZZDHZHRBAGM-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13725 155.0
[M+Na]+ 272.11919 158.1
[M-H]- 248.12269 160.7
[M+NH4]+ 267.16379 171.4
[M+K]+ 288.09313 153.9
[M+H-H2O]+ 232.12723 147.0
[M+HCOO]- 294.12817 172.5
[M+CH3COO]- 308.14382 200.4
[M+Na-2H]- 270.10464 155.9
[M]+ 249.12942 148.5
[M]- 249.13052 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.