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 145.8
[M+Na]+ 232.08788 151.8
[M-H]- 208.09138 149.7
[M+NH4]+ 227.13248 164.5
[M+K]+ 248.06182 148.3
[M+H-H2O]+ 192.09592 138.6
[M+HCOO]- 254.09686 166.8
[M+CH3COO]- 268.11251 194.0
[M+Na-2H]- 230.07333 147.9
[M]+ 209.09811 144.6
[M]- 209.09921 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.