CID 442426

(+)-iridodial

Structural Information

Molecular Formula
C10H16O2
SMILES
C[C@H]1CC[C@@H]([C@@H]1C=O)[C@@H](C)C=O
InChI
InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKey
HMCYXRFNNOPPPR-AXTSPUMRSA-N
Compound name
(1R,2S,5R)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.5
[M+Na]+ 191.10426 144.5
[M-H]- 167.10776 140.9
[M+NH4]+ 186.14886 160.1
[M+K]+ 207.07820 143.2
[M+H-H2O]+ 151.11230 132.8
[M+HCOO]- 213.11324 159.3
[M+CH3COO]- 227.12889 180.6
[M+Na-2H]- 189.08971 138.5
[M]+ 168.11449 137.2
[M]- 168.11559 137.2
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

patents stripe