CID 22535

1-isopropylnaphthalene

Structural Information

Molecular Formula

C₁₃H₁₄

SMILES

CC(C)C1=CC=CC2=CC=CC=C21

InChI

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

InChIKey

PMPBFICDXLLSRM-UHFFFAOYSA-N

Compound name

1-propan-2-ylnaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3513
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	136.3
[M+Na]+	193.09876	151.7
[M+NH4]+	188.14336	147.3
[M+K]+	209.07270	143.1
[M-H]-	169.10226	140.8
[M+Na-2H]-	191.08421	145.3
[M]+	170.10899	140.0
[M]-	170.11009	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe