CID 6857383

2-exo-hydroxy-1,8-cineole

Structural Information

Molecular Formula
C10H18O2
SMILES
C[C@@]12CC[C@@H](C[C@@H]1O)C(O2)(C)C
InChI
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKey
YVCUGZBVCHODNB-OYNCUSHFSA-N
Compound name
(1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

42
Patents

170.13068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.8
[M+Na]+ 193.11990 145.4
[M-H]- 169.12340 135.7
[M+NH4]+ 188.16450 166.1
[M+K]+ 209.09384 144.2
[M+H-H2O]+ 153.12794 135.0
[M+HCOO]- 215.12888 148.3
[M+CH3COO]- 229.14453 150.3
[M+Na-2H]- 191.10535 151.1
[M]+ 170.13013 141.0
[M]- 170.13123 141.0
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