CID 68714168

Tert-butyl n-(1-cyclopentyl-3-hydroxypropan-2-yl)carbamate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)OC(=O)NC(CC1CCCC1)CO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKey
ZLEBLWDLKHDYEW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyclopentyl-3-hydroxypropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 160.1
[M+Na]+ 266.17266 165.1
[M+NH4]+ 261.21726 165.8
[M+K]+ 282.14660 163.8
[M-H]- 242.17616 158.7
[M+Na-2H]- 264.15811 160.8
[M]+ 243.18289 159.8
[M]- 243.18399 159.8
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

patents stripe