CID 90659211

7-deoxyloganetic aldehyde

Structural Information

Molecular Formula
C10H14O3
SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C=O)O
InChI
InChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1
InChIKey
VWIYAPDYXJYDDI-JZKKDOLYSA-N
Compound name
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 137.6
[M+Na]+ 205.08352 148.2
[M+NH4]+ 200.12812 146.1
[M+K]+ 221.05746 144.9
[M-H]- 181.08702 139.9
[M+Na-2H]- 203.06897 139.8
[M]+ 182.09375 139.5
[M]- 182.09485 139.5
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

No patent data available for this compound.