CID 137945825

1-(chloromethyl)-3-methylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C7H11Cl
SMILES
CC12CC(C1)(C2)CCl
InChI
InChI=1S/C7H11Cl/c1-6-2-7(3-6,4-6)5-8/h2-5H2,1H3
InChIKey
FUVYSMJUBGJDHM-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-methylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.05493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06221 133.2
[M+Na]+ 153.04415 140.1
[M-H]- 129.04765 137.1
[M+NH4]+ 148.08875 142.5
[M+K]+ 169.01809 143.4
[M+H-H2O]+ 113.05219 123.2
[M+HCOO]- 175.05313 144.6
[M+CH3COO]- 189.06878 202.5
[M+Na-2H]- 151.02960 142.1
[M]+ 130.05438 159.3
[M]- 130.05548 159.3
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.