CID 25402

Dtxsid50871207

Structural Information

Molecular Formula
C7H14
SMILES
CCCC(=CC)C
InChI
InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3
InChIKey
JZMUUSXQSKCZNO-UHFFFAOYSA-N
Compound name
3-methylhex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2717
Patents

98.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.8
[M+Na]+ 121.09877 128.8
[M-H]- 97.102274 122.2
[M+NH4]+ 116.14337 145.5
[M+K]+ 137.07271 128.4
[M+H-H2O]+ 81.106810 117.8
[M+HCOO]- 143.10775 144.5
[M+CH3COO]- 157.12340 169.7
[M+Na-2H]- 119.08422 127.4
[M]+ 98.109001 122.1
[M]- 98.110099 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.