CID 4197117
Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid
Structural Information
- Molecular Formula
- C16H23ClO4
- SMILES
- CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)CC(=O)O)C
- InChI
- InChI=1S/C16H23ClO4/c1-13-4-14(2)6-15(5-13,3-10(18)19)9-16(7-13,8-14)11(17)12(20)21/h11H,3-9H2,1-2H3,(H,18,19)(H,20,21)
- InChIKey
- JKZPRSYNGKECDY-UHFFFAOYSA-N
- Compound name
- 2-[3-(carboxymethyl)-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.13576 | 177.4 |
[M+Na]+ | 337.11770 | 181.4 |
[M-H]- | 313.12120 | 170.1 |
[M+NH4]+ | 332.16230 | 203.6 |
[M+K]+ | 353.09164 | 176.6 |
[M+H-H2O]+ | 297.12574 | 173.8 |
[M+HCOO]- | 359.12668 | 174.0 |
[M+CH3COO]- | 373.14233 | 183.9 |
[M+Na-2H]- | 335.10315 | 185.7 |
[M]+ | 314.12793 | 180.8 |
[M]- | 314.12903 | 180.8 |
Literature stripe
No literature data available for this compound.