CID 106440

68039-43-0

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(C)(C)C1=CC(=CC(=C1)OC)C(C)(C)C

InChI

InChI=1S/C15H24O/c1-14(2,3)11-8-12(15(4,5)6)10-13(9-11)16-7/h8-10H,1-7H3

InChIKey

MKDJHJTUTKJVFV-UHFFFAOYSA-N

Compound name

1,3-ditert-butyl-5-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 284
Patents: 220.18271 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.18999	152.3
[M+Na]+	243.17193	160.2
[M-H]-	219.17543	156.4
[M+NH4]+	238.21653	172.0
[M+K]+	259.14587	158.5
[M+H-H2O]+	203.17997	147.5
[M+HCOO]-	265.18091	172.1
[M+CH3COO]-	279.19656	193.4
[M+Na-2H]-	241.15738	157.7
[M]+	220.18216	155.7
[M]-	220.18326	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe