CID 165948578

Tert-butyl n-{[1-(3-bromopropyl)cyclopentyl]methyl}carbamate

Structural Information

Molecular Formula
C14H26BrNO2
SMILES
CC(C)(C)OC(=O)NCC1(CCCC1)CCCBr
InChI
InChI=1S/C14H26BrNO2/c1-13(2,3)18-12(17)16-11-14(9-6-10-15)7-4-5-8-14/h4-11H2,1-3H3,(H,16,17)
InChIKey
MUASSYXCKJODEY-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(3-bromopropyl)cyclopentyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12198 174.7
[M+Na]+ 342.10392 181.9
[M-H]- 318.10742 179.6
[M+NH4]+ 337.14852 196.0
[M+K]+ 358.07786 171.2
[M+H-H2O]+ 302.11196 174.9
[M+HCOO]- 364.11290 192.1
[M+CH3COO]- 378.12855 203.0
[M+Na-2H]- 340.08937 178.0
[M]+ 319.11415 193.0
[M]- 319.11525 193.0
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.