CID 58492

Piperidino ethyl guanidine sulphate

Structural Information

Molecular Formula
C8H18N4
SMILES
C1CCN(CC1)CCN=C(N)N
InChI
InChI=1S/C8H18N4/c9-8(10)11-4-7-12-5-2-1-3-6-12/h1-7H2,(H4,9,10,11)
InChIKey
XIMGXGQKZONNHJ-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

170.15315 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.16043 139.3
[M+Na]+ 193.14237 142.0
[M-H]- 169.14587 140.7
[M+NH4]+ 188.18697 157.1
[M+K]+ 209.11631 140.9
[M+H-H2O]+ 153.15041 131.5
[M+HCOO]- 215.15135 161.0
[M+CH3COO]- 229.16700 187.5
[M+Na-2H]- 191.12782 143.2
[M]+ 170.15260 131.2
[M]- 170.15370 131.2
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

patents stripe