CID 116518

Dtxsid50982524

Structural Information

Molecular Formula
C10H20N2S
SMILES
C1CCCC(CC1)CN=C(CS)N
InChI
InChI=1S/C10H20N2S/c11-10(8-13)12-7-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H2,11,12)
InChIKey
SNQJBAPBLMGYNL-UHFFFAOYSA-N
Compound name
N'-(cycloheptylmethyl)-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14200 144.7
[M+Na]+ 223.12394 145.0
[M-H]- 199.12744 148.5
[M+NH4]+ 218.16854 162.1
[M+K]+ 239.09788 147.9
[M+H-H2O]+ 183.13198 137.8
[M+HCOO]- 245.13292 160.2
[M+CH3COO]- 259.14857 191.5
[M+Na-2H]- 221.10939 144.6
[M]+ 200.13417 137.4
[M]- 200.13527 137.4
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.