CID 471358

1-[(tert-butoxycarbonyl)-l-leucyl]-3-(r,s)-pyrrolidinol

Structural Information

Molecular Formula
C15H28N2O4
SMILES
CC(C)CC(C(=O)N1CCC(C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O4/c1-10(2)8-12(16-14(20)21-15(3,4)5)13(19)17-7-6-11(18)9-17/h10-12,18H,6-9H2,1-5H3,(H,16,20)
InChIKey
NGZTWTBYKNHCBW-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.2049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21218 174.9
[M+Na]+ 323.19412 177.1
[M-H]- 299.19762 174.8
[M+NH4]+ 318.23872 189.4
[M+K]+ 339.16806 177.1
[M+H-H2O]+ 283.20216 168.7
[M+HCOO]- 345.20310 189.3
[M+CH3COO]- 359.21875 204.1
[M+Na-2H]- 321.17957 171.5
[M]+ 300.20435 174.1
[M]- 300.20545 174.1
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.