CID 101693

3-chloro-3,7-dimethylocta-1,6-diene

Structural Information

Molecular Formula
C10H17Cl
SMILES
CC(=CCCC(C)(C=C)Cl)C
InChI
InChI=1S/C10H17Cl/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3
InChIKey
PJILXNRGDWHSRA-UHFFFAOYSA-N
Compound name
3-chloro-3,7-dimethylocta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

172.10188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10916 140.9
[M+Na]+ 195.09110 151.9
[M+NH4]+ 190.13570 149.0
[M+K]+ 211.06504 145.0
[M-H]- 171.09460 140.1
[M+Na-2H]- 193.07655 144.4
[M]+ 172.10133 142.5
[M]- 172.10243 142.5
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