CID 3012597

1-(4-butylsulfanylphenyl)guanidine

Structural Information

Molecular Formula
C11H17N3S
SMILES
CCCCSC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C11H17N3S/c1-2-3-8-15-10-6-4-9(5-7-10)14-11(12)13/h4-7H,2-3,8H2,1H3,(H4,12,13,14)
InChIKey
YGRYVMHVJRHVPT-UHFFFAOYSA-N
Compound name
2-(4-butylsulfanylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.11432 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12160 149.8
[M+Na]+ 246.10354 155.4
[M-H]- 222.10704 153.5
[M+NH4]+ 241.14814 167.9
[M+K]+ 262.07748 151.5
[M+H-H2O]+ 206.11158 142.4
[M+HCOO]- 268.11252 170.5
[M+CH3COO]- 282.12817 197.7
[M+Na-2H]- 244.08899 151.5
[M]+ 223.11377 149.0
[M]- 223.11487 149.0
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.