CID 64724

Dtxsid00935388

Structural Information

Molecular Formula
C9H18N4
SMILES
CC1CCN(C=C1)CCN=C(N)N
InChI
InChI=1S/C9H18N4/c1-8-2-5-13(6-3-8)7-4-12-9(10)11/h2,5,8H,3-4,6-7H2,1H3,(H4,10,11,12)
InChIKey
FGBJSGQAOBYFJV-UHFFFAOYSA-N
Compound name
2-[2-(4-methyl-3,4-dihydro-2H-pyridin-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.15315 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.160426 142.7
[M+Na]+ 205.142368 147.0
[M-H]- 181.145874 144.7
[M+NH4]+ 200.186973 160.5
[M+K]+ 221.116308 145.4
[M+H-H2O]+ 165.150410 135.0
[M+HCOO]- 227.151351 165.6
[M+CH3COO]- 241.167001 191.3
[M+Na-2H]- 203.127816 146.3
[M]+ 182.15260142 136.8
[M]- 182.15369858 136.8
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.