CID 45098403

Iridoid skeleton

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC2C1COCC2C
InChI
InChI=1S/C10H18O/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-10H,3-6H2,1-2H3
InChIKey
BSOMMQKXQBBLDD-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

154.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.4
[M+Na]+ 177.124988 140.6
[M-H]- 153.128494 138.8
[M+NH4]+ 172.169593 157.3
[M+K]+ 193.098928 140.0
[M+H-H2O]+ 137.133030 129.8
[M+HCOO]- 199.133971 152.7
[M+CH3COO]- 213.149621 177.4
[M+Na-2H]- 175.110436 138.3
[M]+ 154.13522142 131.1
[M]- 154.13631858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.