CID 56854

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

Structural Information

Molecular Formula
C10H24N4
SMILES
CC(C)CN(CCN=C(N)N)C(C)C
InChI
InChI=1S/C10H24N4/c1-8(2)7-14(9(3)4)6-5-13-10(11)12/h8-9H,5-7H2,1-4H3,(H4,11,12,13)
InChIKey
JFSOHBAFGGSTPE-UHFFFAOYSA-N
Compound name
2-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.2001 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.207376 154.4
[M+Na]+ 223.189318 156.8
[M-H]- 199.192824 155.9
[M+NH4]+ 218.233923 173.0
[M+K]+ 239.163258 158.1
[M+H-H2O]+ 183.197360 147.1
[M+HCOO]- 245.198301 178.7
[M+CH3COO]- 259.213951 204.9
[M+Na-2H]- 221.174766 153.7
[M]+ 200.19955142 152.2
[M]- 200.20064858 152.2
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.