CID 595156

51407-46-6

Structural Information

Molecular Formula
C13H18O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C=O
InChI
InChI=1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKey
DMZVZANOMJGHKO-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)phenyl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

190.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 144.5
[M+Na]+ 213.12499 157.1
[M+NH4]+ 208.16959 153.1
[M+K]+ 229.09893 150.2
[M-H]- 189.12849 146.8
[M+Na-2H]- 211.11044 150.9
[M]+ 190.13522 147.0
[M]- 190.13632 147.0
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

patents stripe