CID 77783

4-isopropylanisole

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
InChIKey
JULZQKLZSNOEEJ-UHFFFAOYSA-N
Compound name
1-methoxy-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2949
Patents

150.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.1
[M+Na]+ 173.093678 138.8
[M-H]- 149.097184 135.0
[M+NH4]+ 168.138283 152.7
[M+K]+ 189.067618 137.8
[M+H-H2O]+ 133.101720 125.8
[M+HCOO]- 195.102661 154.7
[M+CH3COO]- 209.118311 178.4
[M+Na-2H]- 171.079126 137.0
[M]+ 150.10391142 132.6
[M]- 150.10500858 132.6
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