CID 10106

1,4-cineole

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)C12CCC(O1)(CC2)C
InChI
InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
InChIKey
RFFOTVCVTJUTAD-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

15746
Patents

154.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 136.3
[M+Na]+ 177.124988 143.7
[M-H]- 153.128494 139.8
[M+NH4]+ 172.169593 165.1
[M+K]+ 193.098928 143.3
[M+H-H2O]+ 137.133030 133.6
[M+HCOO]- 199.133971 155.5
[M+CH3COO]- 213.149621 176.8
[M+Na-2H]- 175.110436 142.0
[M]+ 154.13522142 136.4
[M]- 154.13631858 136.4
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