CID 2759979

206761-75-3

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC1=CC=C(C=C1)CCNC(=S)NN
InChI
InChI=1S/C10H15N3S/c1-8-2-4-9(5-3-8)6-7-12-10(14)13-11/h2-5H,6-7,11H2,1H3,(H2,12,13,14)
InChIKey
KWOCYSPVVMXDPN-UHFFFAOYSA-N
Compound name
1-amino-3-[2-(4-methylphenyl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 145.5
[M+Na]+ 232.087878 151.1
[M-H]- 208.091384 148.5
[M+NH4]+ 227.132483 163.8
[M+K]+ 248.061818 147.0
[M+H-H2O]+ 192.095920 138.5
[M+HCOO]- 254.096861 165.6
[M+CH3COO]- 268.112511 192.1
[M+Na-2H]- 230.073326 148.2
[M]+ 209.09811142 143.4
[M]- 209.09920858 143.4
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.