CID 3036230

Semicarbazide, 2-(p-methylphenethyl)-3-thio-

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC1=CC=C(C=C1)CCN(C(=S)N)N
InChI
InChI=1S/C10H15N3S/c1-8-2-4-9(5-3-8)6-7-13(12)10(11)14/h2-5H,6-7,12H2,1H3,(H2,11,14)
InChIKey
DYIDNWCZEQLOSM-UHFFFAOYSA-N
Compound name
1-amino-1-[2-(4-methylphenyl)ethyl]thiourea
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 146.6
[M+Na]+ 232.08788 152.2
[M-H]- 208.09138 150.5
[M+NH4]+ 227.13248 165.1
[M+K]+ 248.06182 149.2
[M+H-H2O]+ 192.09592 139.4
[M+HCOO]- 254.09686 166.5
[M+CH3COO]- 268.11251 195.5
[M+Na-2H]- 230.07333 147.5
[M]+ 209.09811 144.8
[M]- 209.09921 144.8
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.