CID 3085064
4-methylcoumarin-6-ylmethyliminodiacetic acid
Structural Information
- Molecular Formula
- C15H15NO6
- SMILES
- CC1=CC(=O)OC2=C1C=C(C=C2)CN(CC(=O)O)CC(=O)O
- InChI
- InChI=1S/C15H15NO6/c1-9-4-15(21)22-12-3-2-10(5-11(9)12)6-16(7-13(17)18)8-14(19)20/h2-5H,6-8H2,1H3,(H,17,18)(H,19,20)
- InChIKey
- IJHAVNKJMOPQCG-UHFFFAOYSA-N
- Compound name
- 2-[carboxymethyl-[(4-methyl-2-oxochromen-6-yl)methyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 306.09722 | 165.3 |
[M+Na]+ | 328.07916 | 172.3 |
[M-H]- | 304.08266 | 169.4 |
[M+NH4]+ | 323.12376 | 178.7 |
[M+K]+ | 344.05310 | 171.9 |
[M+H-H2O]+ | 288.08720 | 158.1 |
[M+HCOO]- | 350.08814 | 185.0 |
[M+CH3COO]- | 364.10379 | 206.4 |
[M+Na-2H]- | 326.06461 | 168.9 |
[M]+ | 305.08939 | 170.0 |
[M]- | 305.09049 | 170.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.