CID 3017671

1-chloro-1-methylcyclooctane

Structural Information

Molecular Formula
C9H17Cl
SMILES
CC1(CCCCCCC1)Cl
InChI
InChI=1S/C9H17Cl/c1-9(10)7-5-3-2-4-6-8-9/h2-8H2,1H3
InChIKey
YXBVMMBBECLXQE-UHFFFAOYSA-N
Compound name
1-chloro-1-methylcyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.10188 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.109156 150.6
[M+Na]+ 183.091098 155.0
[M-H]- 159.094604 152.1
[M+NH4]+ 178.135703 161.1
[M+K]+ 199.065038 154.7
[M+H-H2O]+ 143.099140 147.7
[M+HCOO]- 205.100081 157.4
[M+CH3COO]- 219.115731 219.1
[M+Na-2H]- 181.076546 150.8
[M]+ 160.10133142 148.9
[M]- 160.10242858 148.9
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