CID 16238

2-isopropylnaphthalene

Structural Information

Molecular Formula

C₁₃H₁₄

SMILES

CC(C)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3

InChIKey

TVYVQNHYIHAJTD-UHFFFAOYSA-N

Compound name

2-propan-2-ylnaphthalene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 6100
Patents: 170.10954 Da
Monoisotopic Mass: 4.6
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]+	171.11682	135.8
[M+Na]+	193.09876	143.7
[M-H]-	169.10226	140.5
[M+NH4]+	188.14336	157.6
[M+K]+	209.07270	140.5
[M+H-H2O]+	153.10680	130.0
[M+HCOO]-	215.10774	158.1
[M+CH3COO]-	229.12339	182.9
[M+Na-2H]-	191.08421	143.4
[M]+	170.10899	135.7
[M]-	170.11009	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe