CID 26512

1-(2-(isopropylpropylamino)ethyl)guanidine sulfate hydrate

Structural Information

Molecular Formula
C9H22N4
SMILES
CCCN(CCN=C(N)N)C(C)C
InChI
InChI=1S/C9H22N4/c1-4-6-13(8(2)3)7-5-12-9(10)11/h8H,4-7H2,1-3H3,(H4,10,11,12)
InChIKey
NGHYJELJJPVZQD-UHFFFAOYSA-N
Compound name
2-[2-[propan-2-yl(propyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.18445 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.19173 148.8
[M+Na]+ 209.17367 151.8
[M-H]- 185.17717 150.4
[M+NH4]+ 204.21827 168.0
[M+K]+ 225.14761 152.8
[M+H-H2O]+ 169.18171 141.6
[M+HCOO]- 231.18265 174.5
[M+CH3COO]- 245.19830 201.0
[M+Na-2H]- 207.15912 150.0
[M]+ 186.18390 146.9
[M]- 186.18500 146.9
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.