CID 3085584

3-cyclohexene-1-propanal, 1,3-dimethyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CC1=CCC[C@](C1)(C)CCC=O
InChI
InChI=1S/C11H18O/c1-10-5-3-6-11(2,9-10)7-4-8-12/h5,8H,3-4,6-7,9H2,1-2H3/t11-/m1/s1
InChIKey
HAEFRQLHXUHJJP-LLVKDONJSA-N
Compound name
3-[(1R)-1,3-dimethylcyclohex-3-en-1-yl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 137.0
[M+Na]+ 189.12499 143.7
[M-H]- 165.12849 140.4
[M+NH4]+ 184.16959 159.8
[M+K]+ 205.09893 142.0
[M+H-H2O]+ 149.13303 132.3
[M+HCOO]- 211.13397 158.5
[M+CH3COO]- 225.14962 180.0
[M+Na-2H]- 187.11044 142.7
[M]+ 166.13522 136.2
[M]- 166.13632 136.2
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

No patent data available for this compound.