CID 103728
66818-21-1
Structural Information
- Molecular Formula
- C10H18O2
- SMILES
- C1CC2C(CCCC2O)C(C1)O
- InChI
- InChI=1S/C10H18O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-12H,1-6H2
- InChIKey
- BABJMFGHXVXNKB-UHFFFAOYSA-N
- Compound name
- 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.13796 | 137.8 |
[M+Na]+ | 193.11990 | 142.0 |
[M-H]- | 169.12340 | 138.5 |
[M+NH4]+ | 188.16450 | 157.9 |
[M+K]+ | 209.09384 | 139.4 |
[M+H-H2O]+ | 153.12794 | 132.9 |
[M+HCOO]- | 215.12888 | 152.0 |
[M+CH3COO]- | 229.14453 | 174.8 |
[M+Na-2H]- | 191.10535 | 141.4 |
[M]+ | 170.13013 | 129.6 |
[M]- | 170.13123 | 129.6 |