CID 95099
3-thiomorpholinone, 2,2-diethyl-
Structural Information
- Molecular Formula
- C8H15NOS
- SMILES
- CCC1(C(=O)NCCS1)CC
- InChI
- InChI=1S/C8H15NOS/c1-3-8(4-2)7(10)9-5-6-11-8/h3-6H2,1-2H3,(H,9,10)
- InChIKey
- PERBLUYSNRUQEQ-UHFFFAOYSA-N
- Compound name
- 2,2-diethylthiomorpholin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 174.09471 | 136.4 |
[M+Na]+ | 196.07665 | 142.8 |
[M-H]- | 172.08015 | 136.9 |
[M+NH4]+ | 191.12125 | 157.2 |
[M+K]+ | 212.05059 | 140.3 |
[M+H-H2O]+ | 156.08469 | 131.4 |
[M+HCOO]- | 218.08563 | 149.3 |
[M+CH3COO]- | 232.10128 | 175.0 |
[M+Na-2H]- | 194.06210 | 139.1 |
[M]+ | 173.08688 | 134.0 |
[M]- | 173.08798 | 134.0 |