CID 113703

Dtxsid80979947

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]+ 210.105936 147.1
[M+Na]+ 232.087878 151.1
[M-H]- 208.091384 149.2
[M+NH4]+ 227.132483 164.5
[M+K]+ 248.061818 147.7
[M+H-H2O]+ 192.095920 140.0
[M+HCOO]- 254.096861 164.5
[M+CH3COO]- 268.112511 192.8
[M+Na-2H]- 230.073326 147.1
[M]+ 209.09811142 142.4
[M]- 209.09920858 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.