CID 84398

2-prop-1-enyl-p-cymene

Structural Information

Molecular Formula

C₁₃H₁₈

SMILES

CC=CC1=C(C=CC(=C1)C(C)C)C

InChI

InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3

InChIKey

IRICXAFZMINCTB-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-yl-2-prop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 204
Patents: 174.14085 Da
Monoisotopic Mass: 4.4
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]+	175.148126	139.2
[M+Na]+	197.130068	147.0
[M-H]-	173.133574	143.1
[M+NH4]+	192.174673	160.3
[M+K]+	213.104008	144.2
[M+H-H2O]+	157.138110	133.9
[M+HCOO]-	219.139051	161.7
[M+CH3COO]-	233.154701	185.1
[M+Na-2H]-	195.115516	142.9
[M]+	174.14030142	140.0
[M]-	174.14139858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe