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]+ 210.10594 146.3
[M+Na]+ 232.08788 155.6
[M+NH4]+ 227.13248 154.7
[M+K]+ 248.06182 147.6
[M-H]- 208.09138 150.3
[M+Na-2H]- 230.07333 152.1
[M]+ 209.09811 149.0
[M]- 209.09921 149.0
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.