CID 7064048

(2-ethyl-6-methylphenyl)thiourea

Structural Information

Molecular Formula
C10H14N2S
SMILES
CCC1=CC=CC(=C1NC(=S)N)C
InChI
InChI=1S/C10H14N2S/c1-3-8-6-4-5-7(2)9(8)12-10(11)13/h4-6H,3H2,1-2H3,(H3,11,12,13)
InChIKey
NOTVQPRXZSXDAY-UHFFFAOYSA-N
Compound name
(2-ethyl-6-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

194.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 141.9
[M+Na]+ 217.07699 149.2
[M-H]- 193.08049 145.4
[M+NH4]+ 212.12159 161.5
[M+K]+ 233.05093 145.2
[M+H-H2O]+ 177.08503 135.7
[M+HCOO]- 239.08597 161.1
[M+CH3COO]- 253.10162 188.8
[M+Na-2H]- 215.06244 143.4
[M]+ 194.08722 141.1
[M]- 194.08832 141.1
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