CID 113990

Beta-diisobutylaminoethylisothiourea dihydrochloride

Structural Information

Molecular Formula
C11H25N3S
SMILES
CC(C)CN(CCSC(=N)N)CC(C)C
InChI
InChI=1S/C11H25N3S/c1-9(2)7-14(8-10(3)4)5-6-15-11(12)13/h9-10H,5-8H2,1-4H3,(H3,12,13)
InChIKey
GOHXLOBWMRFUSA-UHFFFAOYSA-N
Compound name
2-[bis(2-methylpropyl)amino]ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17693 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.18421 159.0
[M+Na]+ 254.16615 163.8
[M+NH4]+ 249.21075 165.6
[M+K]+ 270.14009 158.1
[M-H]- 230.16965 159.4
[M+Na-2H]- 252.15160 159.7
[M]+ 231.17638 159.8
[M]- 231.17748 159.8
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.