CID 3042125

Guanidine, (4-phenyl-1-piperidinyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C12H18N4
SMILES
C1CN(CCC1C2=CC=CC=C2)N=C(N)N
InChI
InChI=1S/C12H18N4/c13-12(14)15-16-8-6-11(7-9-16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H4,13,14,15)
InChIKey
CQIHNNLKNLZFPI-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperidin-1-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 149.6
[M+Na]+ 241.14237 153.0
[M-H]- 217.14587 154.4
[M+NH4]+ 236.18697 165.4
[M+K]+ 257.11631 150.0
[M+H-H2O]+ 201.15041 140.8
[M+HCOO]- 263.15135 171.6
[M+CH3COO]- 277.16700 196.3
[M+Na-2H]- 239.12782 153.7
[M]+ 218.15260 141.1
[M]- 218.15370 141.1
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.