CID 10104880
171370-49-3
Structural Information
- Molecular Formula
- C11H12N2OS
- SMILES
- CC(C1=CC2=CC=CC=C2S1)NC(=O)N
- InChI
- InChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)
- InChIKey
- CKVDCQYUEYONIA-UHFFFAOYSA-N
- Compound name
- 1-(1-benzothiophen-2-yl)ethylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 221.07431 | 146.5 |
[M+Na]+ | 243.05625 | 154.7 |
[M-H]- | 219.05975 | 151.3 |
[M+NH4]+ | 238.10085 | 167.7 |
[M+K]+ | 259.03019 | 151.2 |
[M+H-H2O]+ | 203.06429 | 140.7 |
[M+HCOO]- | 265.06523 | 167.0 |
[M+CH3COO]- | 279.08088 | 190.7 |
[M+Na-2H]- | 241.04170 | 149.5 |
[M]+ | 220.06648 | 148.0 |
[M]- | 220.06758 | 148.0 |