CID 3055290
72216-50-3
Structural Information
- Molecular Formula
- C18H18O2
- SMILES
- C1C(C2=CC=CC=C2C1C3=CC=CC=C3)CCC(=O)O
- InChI
- InChI=1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20)
- InChIKey
- XTLDALXUGWJVGF-UHFFFAOYSA-N
- Compound name
- 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 267.13796 | 162.5 |
[M+Na]+ | 289.11990 | 168.9 |
[M-H]- | 265.12340 | 168.5 |
[M+NH4]+ | 284.16450 | 180.9 |
[M+K]+ | 305.09384 | 163.8 |
[M+H-H2O]+ | 249.12794 | 155.6 |
[M+HCOO]- | 311.12888 | 182.8 |
[M+CH3COO]- | 325.14453 | 195.7 |
[M+Na-2H]- | 287.10535 | 164.7 |
[M]+ | 266.13013 | 161.5 |
[M]- | 266.13123 | 161.5 |