CID 696326
37014-08-7
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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.05867 | 137.2 |
[M+Na]+ | 205.04061 | 147.5 |
[M+NH4]+ | 200.08521 | 145.7 |
[M+K]+ | 221.01455 | 140.1 |
[M-H]- | 181.04411 | 140.2 |
[M+Na-2H]- | 203.02606 | 143.2 |
[M]+ | 182.05084 | 139.8 |
[M]- | 182.05194 | 139.8 |