CID 84729306

Tert-butyl n-[2-(cyclopentylmethyl)-3-oxopropyl]carbamate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)NCC(CC1CCCC1)C=O
InChI
InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-9-12(10-16)8-11-6-4-5-7-11/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKey
CHBSYVJKMFAEEX-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(cyclopentylmethyl)-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 163.5
[M+Na]+ 278.17266 168.8
[M+NH4]+ 273.21726 169.1
[M+K]+ 294.14660 167.0
[M-H]- 254.17616 162.4
[M+Na-2H]- 276.15811 164.5
[M]+ 255.18289 163.4
[M]- 255.18399 163.4
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.