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]+ 201.141996 144.7
[M+Na]+ 223.123938 145.0
[M-H]- 199.127444 148.5
[M+NH4]+ 218.168543 162.1
[M+K]+ 239.097878 147.9
[M+H-H2O]+ 183.131980 137.8
[M+HCOO]- 245.132921 160.2
[M+CH3COO]- 259.148571 191.5
[M+Na-2H]- 221.109386 144.6
[M]+ 200.13417142 137.4
[M]- 200.13526858 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.