CID 39683
50527-27-0
Structural Information
- Molecular Formula
- C13H14N2O4
- SMILES
- CCCCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]
- InChI
- InChI=1S/C13H14N2O4/c1-2-3-8-14-11-9-6-4-5-7-10(9)19-13(16)12(11)15(17)18/h4-7,14H,2-3,8H2,1H3
- InChIKey
- UMKVLFMFXZVPTH-UHFFFAOYSA-N
- Compound name
- 4-(butylamino)-3-nitrochromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.10265 | 155.6 |
[M+Na]+ | 285.08459 | 163.0 |
[M-H]- | 261.08809 | 161.1 |
[M+NH4]+ | 280.12919 | 171.1 |
[M+K]+ | 301.05853 | 157.1 |
[M+H-H2O]+ | 245.09263 | 152.9 |
[M+HCOO]- | 307.09357 | 180.3 |
[M+CH3COO]- | 321.10922 | 194.0 |
[M+Na-2H]- | 283.07004 | 165.1 |
[M]+ | 262.09482 | 157.7 |
[M]- | 262.09592 | 157.7 |