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]+ 173.109156 149.8
[M+Na]+ 195.091098 155.2
[M-H]- 171.094604 153.0
[M+NH4]+ 190.135703 157.5
[M+K]+ 211.065038 158.3
[M+H-H2O]+ 155.099140 139.0
[M+HCOO]- 217.100081 159.3
[M+CH3COO]- 231.115731 209.6
[M+Na-2H]- 193.076546 155.8
[M]+ 172.10133142 175.9
[M]- 172.10242858 175.9
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

No patent data available for this compound.