CID 10035945
193885-36-8
Structural Information
- Molecular Formula
- C11H12O4
- SMILES
- CC(C1=CC2=C(C=C1)OCCO2)C(=O)O
- InChI
- InChI=1S/C11H12O4/c1-7(11(12)13)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
- InChIKey
- REEHPTZXDPTHNZ-UHFFFAOYSA-N
- Compound name
- 2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.08084 | 142.7 |
[M+Na]+ | 231.06278 | 148.9 |
[M-H]- | 207.06628 | 146.9 |
[M+NH4]+ | 226.10738 | 159.0 |
[M+K]+ | 247.03672 | 149.8 |
[M+H-H2O]+ | 191.07082 | 136.8 |
[M+HCOO]- | 253.07176 | 159.3 |
[M+CH3COO]- | 267.08741 | 183.6 |
[M+Na-2H]- | 229.04823 | 149.4 |
[M]+ | 208.07301 | 142.9 |
[M]- | 208.07411 | 142.9 |