CID 199

Agmatine

Structural Information

Molecular Formula
C5H14N4
SMILES
C(CCN=C(N)N)CN
InChI
InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKey
QYPPJABKJHAVHS-UHFFFAOYSA-N
Compound name
2-(4-aminobutyl)guanidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1302
References

9998
Patents

130.12184 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.129116 128.2
[M+Na]+ 153.111058 132.9
[M-H]- 129.114564 128.3
[M+NH4]+ 148.155663 148.7
[M+K]+ 169.084998 132.6
[M+H-H2O]+ 113.119100 121.8
[M+HCOO]- 175.120041 155.0
[M+CH3COO]- 189.135691 183.9
[M+Na-2H]- 151.096506 132.6
[M]+ 130.12129142 123.2
[M]- 130.12238858 123.2
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