CID 31430

Isothiuronium

Structural Information

Molecular Formula
C12H24N2S
SMILES
C=CCCCCCCCCCSC(=N)N
InChI
InChI=1S/C12H24N2S/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14/h2H,1,3-11H2,(H3,13,14)
InChIKey
OEXJBTRYLHGHNY-UHFFFAOYSA-N
Compound name
undec-10-enyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

338
References

827
Patents

228.16602 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17330 157.8
[M+Na]+ 251.15524 164.2
[M+NH4]+ 246.19984 164.5
[M+K]+ 267.12918 155.6
[M-H]- 227.15874 157.8
[M+Na-2H]- 249.14069 158.8
[M]+ 228.16547 158.7
[M]- 228.16657 158.7
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.