CID 3067221
80916-79-6
Structural Information
- Molecular Formula
- C13H12N4O4
- SMILES
- C1=CC2=C(C(=C1)OCCCO)OC(=O)C(=C2)C3=NNN=N3
- InChI
- InChI=1S/C13H12N4O4/c18-5-2-6-20-10-4-1-3-8-7-9(12-14-16-17-15-12)13(19)21-11(8)10/h1,3-4,7,18H,2,5-6H2,(H,14,15,16,17)
- InChIKey
- YFLKXPHHBVDVBU-UHFFFAOYSA-N
- Compound name
- 8-(3-hydroxypropoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.09313 | 162.0 |
[M+Na]+ | 311.07507 | 173.1 |
[M-H]- | 287.07857 | 163.6 |
[M+NH4]+ | 306.11967 | 172.3 |
[M+K]+ | 327.04901 | 168.8 |
[M+H-H2O]+ | 271.08311 | 152.4 |
[M+HCOO]- | 333.08405 | 180.2 |
[M+CH3COO]- | 347.09970 | 173.2 |
[M+Na-2H]- | 309.06052 | 169.0 |
[M]+ | 288.08530 | 166.7 |
[M]- | 288.08640 | 166.7 |
Literature stripe
No literature data available for this compound.