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 149.8
[M+Na]+ 195.09110 155.2
[M-H]- 171.09460 153.0
[M+NH4]+ 190.13570 157.5
[M+K]+ 211.06504 158.3
[M+H-H2O]+ 155.09914 139.0
[M+HCOO]- 217.10008 159.3
[M+CH3COO]- 231.11573 209.6
[M+Na-2H]- 193.07655 155.8
[M]+ 172.10133 175.9
[M]- 172.10243 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.