CID 426594

N-benzyl-2-mercaptoethanimidamide

Structural Information

Molecular Formula
C9H12N2S
SMILES
C1=CC=C(C=C1)CN=C(CS)N
InChI
InChI=1S/C9H12N2S/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11)
InChIKey
UCBPAOJYCUKKPN-UHFFFAOYSA-N
Compound name
N'-benzyl-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.6
[M+Na]+ 203.06133 144.0
[M-H]- 179.06483 142.0
[M+NH4]+ 198.10593 157.9
[M+K]+ 219.03527 141.2
[M+H-H2O]+ 163.06937 130.9
[M+HCOO]- 225.07031 158.7
[M+CH3COO]- 239.08596 186.1
[M+Na-2H]- 201.04678 141.4
[M]+ 180.07156 137.5
[M]- 180.07266 137.5
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.