CID 23502

5,5-dimethylhex-1-ene

Structural Information

Molecular Formula
C8H16
SMILES
CC(C)(C)CCC=C
InChI
InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKey
KZJIOVQKSAOPOP-UHFFFAOYSA-N
Compound name
5,5-dimethylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3749
Patents

112.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 125.7
[M+Na]+ 135.11442 133.0
[M-H]- 111.11792 126.2
[M+NH4]+ 130.15902 149.0
[M+K]+ 151.08836 132.3
[M+H-H2O]+ 95.122460 122.1
[M+HCOO]- 157.12340 147.6
[M+CH3COO]- 171.13905 172.2
[M+Na-2H]- 133.09987 132.6
[M]+ 112.12465 126.6
[M]- 112.12575 126.6
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