CID 110914

6658-48-6

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)CC1=CC=C(C=C1)CC(C)C=O
InChI
InChI=1S/C14H20O/c1-11(2)8-13-4-6-14(7-5-13)9-12(3)10-15/h4-7,10-12H,8-9H2,1-3H3
InChIKey
YLIXVKUWWOQREC-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1710
Patents

204.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 149.0
[M+Na]+ 227.14063 161.4
[M+NH4]+ 222.18523 157.5
[M+K]+ 243.11457 154.3
[M-H]- 203.14413 151.3
[M+Na-2H]- 225.12608 155.1
[M]+ 204.15086 151.4
[M]- 204.15196 151.4
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