CID 113665

63679-94-7

Structural Information

Molecular Formula
C9H13N3OS
SMILES
C1=CC(=CC=C1N=C(N)SCCN)O
InChI
InChI=1S/C9H13N3OS/c10-5-6-14-9(11)12-7-1-3-8(13)4-2-7/h1-4,13H,5-6,10H2,(H2,11,12)
InChIKey
RKWSBADLSNEAJE-UHFFFAOYSA-N
Compound name
2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07793 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08521 144.4
[M+Na]+ 234.06715 150.3
[M-H]- 210.07065 147.0
[M+NH4]+ 229.11175 162.2
[M+K]+ 250.04109 146.5
[M+H-H2O]+ 194.07519 137.4
[M+HCOO]- 256.07613 164.5
[M+CH3COO]- 270.09178 190.6
[M+Na-2H]- 232.05260 146.7
[M]+ 211.07738 142.4
[M]- 211.07848 142.4
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.