CID 113703

63680-54-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10594 146.6
[M+Na]+ 232.08788 154.1
[M+NH4]+ 227.13248 154.4
[M+K]+ 248.06182 148.0
[M-H]- 208.09138 149.5
[M+Na-2H]- 230.07333 151.3
[M]+ 209.09811 148.5
[M]- 209.09921 148.5
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.