CID 442438

(+)-iridodial lactol

Structural Information

Molecular Formula
C10H16O2
SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C)O
InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8+,9+,10+/m0/s1
InChIKey
OJGPEAXUHQRLNC-JZKKDOLYSA-N
Compound name
(1R,4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

64
Patents

168.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.7
[M+Na]+ 191.104258 143.4
[M-H]- 167.107764 139.6
[M+NH4]+ 186.148863 157.8
[M+K]+ 207.078198 142.2
[M+H-H2O]+ 151.112300 131.5
[M+HCOO]- 213.113241 154.2
[M+CH3COO]- 227.128891 177.6
[M+Na-2H]- 189.089706 139.7
[M]+ 168.11449142 134.0
[M]- 168.11558858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe