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]+ 131.12912 128.8
[M+Na]+ 153.11106 133.7
[M-H]- 129.11456 130.1
[M+NH4]+ 148.15566 150.1
[M+K]+ 169.08500 134.1
[M+H-H2O]+ 113.11910 122.5
[M+HCOO]- 175.12004 156.9
[M+CH3COO]- 189.13569 183.8
[M+Na-2H]- 151.09651 135.3
[M]+ 130.12129 125.7
[M]- 130.12239 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.