CID 221573

1-methoxy-4-(2,4,4-trimethylpentan-2-yl)benzene

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H24O/c1-14(2,3)11-15(4,5)12-7-9-13(16-6)10-8-12/h7-10H,11H2,1-6H3
InChIKey
BFIGIIVGUAIVOL-UHFFFAOYSA-N
Compound name
1-methoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.3
[M+Na]+ 243.171928 160.2
[M-H]- 219.175434 157.0
[M+NH4]+ 238.216533 172.6
[M+K]+ 259.145868 158.4
[M+H-H2O]+ 203.179970 148.2
[M+HCOO]- 265.180911 173.1
[M+CH3COO]- 279.196561 192.9
[M+Na-2H]- 241.157376 159.3
[M]+ 220.18216142 156.4
[M]- 220.18325858 156.4
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