CID 137944810

1-(chloromethyl)-3-(2-methylpropyl)bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C10H17Cl
SMILES
CC(C)CC12CC(C1)(C2)CCl
InChI
InChI=1S/C10H17Cl/c1-8(2)3-9-4-10(5-9,6-9)7-11/h8H,3-7H2,1-2H3
InChIKey
LPEUKUUQNVOWBR-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-(2-methylpropyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10916 141.8
[M+Na]+ 195.09110 140.4
[M+NH4]+ 190.13570 143.0
[M+K]+ 211.06504 137.0
[M-H]- 171.09460 135.8
[M+Na-2H]- 193.07655 139.7
[M]+ 172.10133 137.7
[M]- 172.10243 137.7
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

No patent data available for this compound.