CID 112576
63133-96-0
Structural Information
- Molecular Formula
- C14H20N2O2
- SMILES
- CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(CC1(C)C)C
- InChI
- InChI=1S/C14H20N2O2/c1-5-15-13-8-11(16(17)18)6-7-12(13)10(2)9-14(15,3)4/h6-8,10H,5,9H2,1-4H3
- InChIKey
- GKVIDQNXFZSJIB-UHFFFAOYSA-N
- Compound name
- 1-ethyl-2,2,4-trimethyl-7-nitro-3,4-dihydroquinoline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.15976 | 155.9 |
[M+Na]+ | 271.14170 | 163.8 |
[M-H]- | 247.14520 | 159.4 |
[M+NH4]+ | 266.18630 | 174.9 |
[M+K]+ | 287.11564 | 157.0 |
[M+H-H2O]+ | 231.14974 | 154.2 |
[M+HCOO]- | 293.15068 | 175.6 |
[M+CH3COO]- | 307.16633 | 192.7 |
[M+Na-2H]- | 269.12715 | 162.4 |
[M]+ | 248.15193 | 154.8 |
[M]- | 248.15303 | 154.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.