CID 26504

1-(2-(isobutylmethylamino)ethyl)guanidine sulfate

Structural Information

Molecular Formula
C8H20N4
SMILES
CC(C)CN(C)CCN=C(N)N
InChI
InChI=1S/C8H20N4/c1-7(2)6-12(3)5-4-11-8(9)10/h7H,4-6H2,1-3H3,(H4,9,10,11)
InChIKey
JFWSBWCDCWWPKP-UHFFFAOYSA-N
Compound name
2-[2-[methyl(2-methylpropyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.1688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.17608 144.3
[M+Na]+ 195.15802 147.7
[M-H]- 171.16152 146.1
[M+NH4]+ 190.20262 164.1
[M+K]+ 211.13196 149.0
[M+H-H2O]+ 155.16606 137.2
[M+HCOO]- 217.16700 170.3
[M+CH3COO]- 231.18265 198.0
[M+Na-2H]- 193.14347 146.0
[M]+ 172.16825 142.0
[M]- 172.16935 142.0
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

patents stripe