CID 13819084

109466-74-2

Structural Information

Molecular Formula
C11H18O3
SMILES
C/C(=C\[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C=O
InChI
InChI=1S/C11H18O3/c1-8(7-12)5-9-3-4-10(13)11(6-9)14-2/h5,7,9-11,13H,3-4,6H2,1-2H3/b8-5+/t9-,10+,11+/m0/s1
InChIKey
ZTXGCGOIEHBZMQ-OJHBQYHASA-N
Compound name
(E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 145.0
[M+Na]+ 221.11482 150.2
[M-H]- 197.11832 146.5
[M+NH4]+ 216.15942 163.7
[M+K]+ 237.08876 148.4
[M+H-H2O]+ 181.12286 139.7
[M+HCOO]- 243.12380 163.1
[M+CH3COO]- 257.13945 182.7
[M+Na-2H]- 219.10027 146.1
[M]+ 198.12505 142.4
[M]- 198.12615 142.4
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.