CID 23866

3,4-dimethyl-1-pentene

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CC(C)C(C)C=C

InChI

InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-7H,1H2,2-4H3

InChIKey

WFHXQNMTMDKVJG-UHFFFAOYSA-N

Compound name

3,4-dimethylpent-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1253
Patents: 98.10955 Da
Monoisotopic Mass: 3.0
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]+	99.116826	122.4
[M+Na]+	121.09877	133.2
[M+NH4]+	116.14337	131.3
[M+K]+	137.07271	127.6
[M-H]-	97.102274	122.6
[M+Na-2H]-	119.08422	126.6
[M]+	98.109001	123.9
[M]-	98.110099	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe