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 147.1
[M+Na]+ 232.08788 151.1
[M-H]- 208.09138 149.2
[M+NH4]+ 227.13248 164.5
[M+K]+ 248.06182 147.7
[M+H-H2O]+ 192.09592 140.0
[M+HCOO]- 254.09686 164.5
[M+CH3COO]- 268.11251 192.8
[M+Na-2H]- 230.07333 147.1
[M]+ 209.09811 142.4
[M]- 209.09921 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.