CID 2525976

{[(3-methylphenyl)methyl]sulfanyl}methanimidamide

Structural Information

Molecular Formula
C9H12N2S
SMILES
CC1=CC(=CC=C1)CSC(=N)N
InChI
InChI=1S/C9H12N2S/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChIKey
XMHABLGHQHBPRC-UHFFFAOYSA-N
Compound name
(3-methylphenyl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

180.07211 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.6
[M+Na]+ 203.06133 144.5
[M-H]- 179.06483 141.0
[M+NH4]+ 198.10593 157.5
[M+K]+ 219.03527 140.7
[M+H-H2O]+ 163.06937 131.4
[M+HCOO]- 225.07031 157.2
[M+CH3COO]- 239.08596 184.6
[M+Na-2H]- 201.04678 140.3
[M]+ 180.07156 136.1
[M]- 180.07266 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe