CID 3078796
1,2-ethanediamine, n,n-dimethyl-n'-(2-nitro-3-thienyl)-, monohydrochloride
Structural Information
- Molecular Formula
- C8H13N3O2S
- SMILES
- CN(C)CCNC1=C(SC=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C8H13N3O2S/c1-10(2)5-4-9-7-3-6-14-8(7)11(12)13/h3,6,9H,4-5H2,1-2H3
- InChIKey
- AFRONXIZVBQQHP-UHFFFAOYSA-N
- Compound name
- N',N'-dimethyl-N-(2-nitrothiophen-3-yl)ethane-1,2-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 216.08013 | 144.7 |
[M+Na]+ | 238.06207 | 150.3 |
[M-H]- | 214.06557 | 149.8 |
[M+NH4]+ | 233.10667 | 164.6 |
[M+K]+ | 254.03601 | 145.1 |
[M+H-H2O]+ | 198.07011 | 142.3 |
[M+HCOO]- | 260.07105 | 168.2 |
[M+CH3COO]- | 274.08670 | 187.7 |
[M+Na-2H]- | 236.04752 | 148.7 |
[M]+ | 215.07230 | 145.3 |
[M]- | 215.07340 | 145.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.