CID 113680

63680-15-9

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC1=CC(=CC=C1)N=C(N)SCCN
InChI
InChI=1S/C10H15N3S/c1-8-3-2-4-9(7-8)13-10(12)14-6-5-11/h2-4,7H,5-6,11H2,1H3,(H2,12,13)
InChIKey
ZIUGJTHGHOWOTR-UHFFFAOYSA-N
Compound name
2-aminoethyl N'-(3-methylphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 145.8
[M+Na]+ 232.087878 151.8
[M-H]- 208.091384 149.7
[M+NH4]+ 227.132483 164.5
[M+K]+ 248.061818 148.3
[M+H-H2O]+ 192.095920 138.6
[M+HCOO]- 254.096861 166.8
[M+CH3COO]- 268.112511 194.0
[M+Na-2H]- 230.073326 147.9
[M]+ 209.09811142 144.6
[M]- 209.09920858 144.6
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.