CID 5362849

3-hexene, 2,2,5,5-tetramethyl-, (z)-

Structural Information

Molecular Formula
C10H20
SMILES
CC(C)(C)/C=C\C(C)(C)C
InChI
InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3/b8-7-
InChIKey
UYWLQEPMPVDASH-FPLPWBNLSA-N
Compound name
(Z)-2,2,5,5-tetramethylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

244
Patents

140.1565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 134.1
[M+Na]+ 163.14572 141.3
[M-H]- 139.14922 134.7
[M+NH4]+ 158.19032 156.7
[M+K]+ 179.11966 140.4
[M+H-H2O]+ 123.15376 130.9
[M+HCOO]- 185.15470 153.8
[M+CH3COO]- 199.17035 177.3
[M+Na-2H]- 161.13117 140.7
[M]+ 140.15595 135.1
[M]- 140.15705 135.1
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