CID 135396544

Tert-butyl 1-(bromomethyl)cyclopentane-1-carboxylate

Structural Information

Molecular Formula
C11H19BrO2
SMILES
CC(C)(C)OC(=O)C1(CCCC1)CBr
InChI
InChI=1S/C11H19BrO2/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h4-8H2,1-3H3
InChIKey
HWTMREYHRWRCSX-UHFFFAOYSA-N
Compound name
tert-butyl 1-(bromomethyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06413 158.0
[M+Na]+ 285.04607 167.5
[M-H]- 261.04957 163.7
[M+NH4]+ 280.09067 182.0
[M+K]+ 301.02001 157.8
[M+H-H2O]+ 245.05411 159.7
[M+HCOO]- 307.05505 175.6
[M+CH3COO]- 321.07070 190.7
[M+Na-2H]- 283.03152 162.6
[M]+ 262.05630 176.3
[M]- 262.05740 176.3
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.