CID 135970

1-chloro-5,5,7,7-tetramethyl-2-octene

Structural Information

Molecular Formula
C12H23Cl
SMILES
CC(C)(C)CC(C)(C)CC=CCCl
InChI
InChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3
InChIKey
DVOYYVNTAWFQAV-UHFFFAOYSA-N
Compound name
1-chloro-5,5,7,7-tetramethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

202.14883 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.156106 150.3
[M+Na]+ 225.138048 157.3
[M-H]- 201.141554 150.3
[M+NH4]+ 220.182653 171.1
[M+K]+ 241.111988 153.5
[M+H-H2O]+ 185.146090 147.2
[M+HCOO]- 247.147031 164.8
[M+CH3COO]- 261.162681 187.9
[M+Na-2H]- 223.123496 155.2
[M]+ 202.14828142 153.8
[M]- 202.14937858 153.8
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