CID 10081459

N-prenylagmatine

Structural Information

Molecular Formula
C10H22N4
SMILES
CC(=CCN=C(N)NCCCCN)C
InChI
InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)
InChIKey
VACJHYSOFQSYAC-UHFFFAOYSA-N
Compound name
1-(4-aminobutyl)-2-(3-methylbut-2-enyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

198.18445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.19173 151.3
[M+Na]+ 221.17367 154.2
[M-H]- 197.17717 151.3
[M+NH4]+ 216.21827 169.5
[M+K]+ 237.14761 152.9
[M+H-H2O]+ 181.18171 144.1
[M+HCOO]- 243.18265 176.4
[M+CH3COO]- 257.19830 198.4
[M+Na-2H]- 219.15912 152.8
[M]+ 198.18390 147.6
[M]- 198.18500 147.6
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