CID 25402

17618-77-8

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

2728
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]+ 121.098768 128.8
[M-H]- 97.102274 122.2
[M+NH4]+ 116.143373 145.5
[M+K]+ 137.072708 128.4
[M+H-H2O]+ 81.106810 117.8
[M+HCOO]- 143.107751 144.5
[M+CH3COO]- 157.123401 169.7
[M+Na-2H]- 119.084216 127.4
[M]+ 98.10900142 122.1
[M]- 98.11009858 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

patents stripe