CID 113661

63679-90-3

Structural Information

Molecular Formula
C10H21N3OS
SMILES
CCCCCC(CCN)C(=O)SC(=N)N
InChI
InChI=1S/C10H21N3OS/c1-2-3-4-5-8(6-7-11)9(14)15-10(12)13/h8H,2-7,11H2,1H3,(H3,12,13)
InChIKey
WXRGBZXJGIFAIL-UHFFFAOYSA-N
Compound name
S-carbamimidoyl 2-(2-aminoethyl)heptanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14053 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14781 156.5
[M+Na]+ 254.12975 160.5
[M+NH4]+ 249.17435 162.0
[M+K]+ 270.10369 155.3
[M-H]- 230.13325 155.6
[M+Na-2H]- 252.11520 156.2
[M]+ 231.13998 156.6
[M]- 231.14108 156.6
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.