CID 15102

1562-71-6

Structural Information

Molecular Formula
C9H18N4
SMILES
CC1=CCN(CC1)CCN=C(N)N
InChI
InChI=1S/C9H18N4/c1-8-2-5-13(6-3-8)7-4-12-9(10)11/h2H,3-7H2,1H3,(H4,10,11,12)
InChIKey
WQVAYGCXSJMPRT-UHFFFAOYSA-N
Compound name
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

949
Patents

182.15315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.16043 142.7
[M+Na]+ 205.14237 147.0
[M-H]- 181.14587 144.7
[M+NH4]+ 200.18697 160.5
[M+K]+ 221.11631 145.4
[M+H-H2O]+ 165.15041 135.0
[M+HCOO]- 227.15135 165.6
[M+CH3COO]- 241.16700 191.3
[M+Na-2H]- 203.12782 146.3
[M]+ 182.15260 136.8
[M]- 182.15370 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

literature stripe

Patent stripe

patents stripe