CID 3016039

3,4,5,5-tetramethyl-2-hexene

Structural Information

Molecular Formula
C10H20
SMILES
CC=C(C)C(C)C(C)(C)C
InChI
InChI=1S/C10H20/c1-7-8(2)9(3)10(4,5)6/h7,9H,1-6H3
InChIKey
PSSMIMCIKZSQIG-UHFFFAOYSA-N
Compound name
3,4,5,5-tetramethylhex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

140.1565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 134.4
[M+Na]+ 163.14572 140.6
[M-H]- 139.14922 134.8
[M+NH4]+ 158.19032 156.7
[M+K]+ 179.11966 140.2
[M+H-H2O]+ 123.15376 130.7
[M+HCOO]- 185.15470 153.7
[M+CH3COO]- 199.17035 179.2
[M+Na-2H]- 161.13117 137.8
[M]+ 140.15595 134.7
[M]- 140.15705 134.7
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