CID 103004

2-ethyl-3-methyl-1-pentene

Structural Information

Molecular Formula
C8H16
SMILES
CCC(C)C(=C)CC
InChI
InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h8H,3,5-6H2,1-2,4H3
InChIKey
YXLCVBVDFKWWRW-UHFFFAOYSA-N
Compound name
3-methyl-4-methylidenehexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.9
[M+Na]+ 135.11442 137.5
[M+NH4]+ 130.15902 135.5
[M+K]+ 151.08836 131.6
[M-H]- 111.11792 127.0
[M+Na-2H]- 133.09987 130.8
[M]+ 112.12465 128.3
[M]- 112.12575 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe