CID 12527626
57457-02-0
Structural Information
- Molecular Formula
- C10H18O2
- SMILES
- C[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@H]1O)O
- InChI
- InChI=1S/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10+/m1/s1
- InChIKey
- AHVKNBRJVKCGKJ-JIOCBJNQSA-N
- Compound name
- (1S,3S,4R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane-3,4-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.13796 | 137.7 |
[M+Na]+ | 193.11990 | 148.1 |
[M-H]- | 169.12340 | 141.2 |
[M+NH4]+ | 188.16450 | 157.6 |
[M+K]+ | 209.09384 | 145.9 |
[M+H-H2O]+ | 153.12794 | 135.2 |
[M+HCOO]- | 215.12888 | 154.1 |
[M+CH3COO]- | 229.14453 | 180.6 |
[M+Na-2H]- | 191.10535 | 143.9 |
[M]+ | 170.13013 | 139.1 |
[M]- | 170.13123 | 139.1 |
Literature stripe
No literature data available for this compound.