CID 221736

P-crotylphenol

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C/C=C/CC1=CC=C(C=C1)O

InChI

InChI=1S/C10H12O/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,5-8,11H,4H2,1H3/b3-2+

InChIKey

CHQPRDVSUIJJNP-NSCUHMNNSA-N

Compound name

4-[(E)-but-2-enyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 803
Patents: 148.08882 Da
Monoisotopic Mass: 3.1
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]+	149.096096	130.5
[M+Na]+	171.078038	138.4
[M-H]-	147.081544	133.0
[M+NH4]+	166.122643	151.5
[M+K]+	187.051978	135.3
[M+H-H2O]+	131.086080	125.4
[M+HCOO]-	193.087021	153.7
[M+CH3COO]-	207.102671	173.3
[M+Na-2H]-	169.063486	137.1
[M]+	148.08827142	129.9
[M]-	148.08936858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe