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]+ 210.10594 145.5
[M+Na]+ 232.08788 151.1
[M-H]- 208.09138 148.5
[M+NH4]+ 227.13248 163.8
[M+K]+ 248.06182 147.0
[M+H-H2O]+ 192.09592 138.5
[M+HCOO]- 254.09686 165.6
[M+CH3COO]- 268.11251 192.1
[M+Na-2H]- 230.07333 148.2
[M]+ 209.09811 143.4
[M]- 209.09921 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.