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]+ 187.191726 148.8
[M+Na]+ 209.173668 151.8
[M-H]- 185.177174 150.4
[M+NH4]+ 204.218273 168.0
[M+K]+ 225.147608 152.8
[M+H-H2O]+ 169.181710 141.6
[M+HCOO]- 231.182651 174.5
[M+CH3COO]- 245.198301 201.0
[M+Na-2H]- 207.159116 150.0
[M]+ 186.18390142 146.9
[M]- 186.18499858 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.