CID 28934717

3-amino-1-[2-(propan-2-yl)phenyl]thiourea

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC(C)C1=CC=CC=C1NC(=S)NN
InChI
InChI=1S/C10H15N3S/c1-7(2)8-5-3-4-6-9(8)12-10(14)13-11/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKey
OHSGYRCXZGEYHU-UHFFFAOYSA-N
Compound name
1-amino-3-(2-propan-2-ylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

209.09866 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10594 146.5
[M+Na]+ 232.08788 151.8
[M-H]- 208.09138 149.6
[M+NH4]+ 227.13248 164.7
[M+K]+ 248.06182 148.2
[M+H-H2O]+ 192.09592 139.6
[M+HCOO]- 254.09686 165.6
[M+CH3COO]- 268.11251 193.0
[M+Na-2H]- 230.07333 148.0
[M]+ 209.09811 143.8
[M]- 209.09921 143.8
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

patents stripe