CID 130825411

N'-(2-aminoethyl)-n,n''-dimethylguanidine dihydrochloride

Structural Information

Molecular Formula
C5H14N4
SMILES
CNC(=NC)NCCN
InChI
InChI=1S/C5H14N4/c1-7-5(8-2)9-4-3-6/h3-4,6H2,1-2H3,(H2,7,8,9)
InChIKey
RWHWTVCOLNSXFA-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-2,3-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.12184 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.129116 128.8
[M+Na]+ 153.111058 133.7
[M-H]- 129.114564 130.1
[M+NH4]+ 148.155663 150.1
[M+K]+ 169.084998 134.1
[M+H-H2O]+ 113.119100 122.5
[M+HCOO]- 175.120041 156.9
[M+CH3COO]- 189.135691 183.8
[M+Na-2H]- 151.096506 135.3
[M]+ 130.12129142 125.7
[M]- 130.12238858 125.7
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.