CID 70686591

Isolaureldehyde

Structural Information

Molecular Formula
C15H18O
SMILES
CC1=C([C@@](CC1)(C)C2=CC=C(C=C2)C=O)C
InChI
InChI=1S/C15H18O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,10H,8-9H2,1-3H3/t15-/m0/s1
InChIKey
KIWINOWJHFHSJH-HNNXBMFYSA-N
Compound name
4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14305 147.1
[M+Na]+ 237.12499 156.4
[M-H]- 213.12849 154.6
[M+NH4]+ 232.16959 170.2
[M+K]+ 253.09893 152.8
[M+H-H2O]+ 197.13303 141.7
[M+HCOO]- 259.13397 171.1
[M+CH3COO]- 273.14962 189.4
[M+Na-2H]- 235.11044 150.4
[M]+ 214.13522 148.2
[M]- 214.13632 148.2
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.