CID 696326

(3-methoxyphenyl)thiourea

Structural Information

Molecular Formula
C8H10N2OS
SMILES
COC1=CC=CC(=C1)NC(=S)N
InChI
InChI=1S/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKey
YGMXDSWMRIXNTI-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

195
Patents

182.05139 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 136.6
[M+Na]+ 205.04061 143.8
[M-H]- 181.04411 140.1
[M+NH4]+ 200.08521 156.3
[M+K]+ 221.01455 140.7
[M+H-H2O]+ 165.04865 130.4
[M+HCOO]- 227.04959 156.8
[M+CH3COO]- 241.06524 183.7
[M+Na-2H]- 203.02606 139.9
[M]+ 182.05084 136.1
[M]- 182.05194 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe