CID 10812

M-cymene

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

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

InChI

InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

InChIKey

XCYJPXQACVEIOS-UHFFFAOYSA-N

Compound name

1-methyl-3-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 7
References: 4135
Patents: 134.10954 Da
Monoisotopic Mass: 4.0
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]+	135.11682	128.3
[M+Na]+	157.09876	142.3
[M+NH4]+	152.14336	138.5
[M+K]+	173.07270	135.0
[M-H]-	133.10226	131.8
[M+Na-2H]-	155.08421	136.5
[M]+	134.10899	131.5
[M]-	134.11009	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe