CID 140597
2,7-dimethyl-2,7-octanediol
Structural Information
- Molecular Formula
- C10H22O2
- SMILES
- CC(C)(CCCCC(C)(C)O)O
- InChI
- InChI=1S/C10H22O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,5-8H2,1-4H3
- InChIKey
- LZMSJLJRUYKOQD-UHFFFAOYSA-N
- Compound name
- 2,7-dimethyloctane-2,7-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.16927 | 144.1 |
[M+Na]+ | 197.15121 | 149.8 |
[M-H]- | 173.15471 | 141.5 |
[M+NH4]+ | 192.19581 | 163.5 |
[M+K]+ | 213.12515 | 148.5 |
[M+H-H2O]+ | 157.15925 | 140.7 |
[M+HCOO]- | 219.16019 | 161.0 |
[M+CH3COO]- | 233.17584 | 178.7 |
[M+Na-2H]- | 195.13666 | 149.6 |
[M]+ | 174.16144 | 145.1 |
[M]- | 174.16254 | 145.1 |