CID 471391

1-[(tert-butoxycarbonyl)-l-leucyl]-3-pyrrolidinone

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CC(C)CC(C(=O)N1CCC(=O)C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H26N2O4/c1-10(2)8-12(16-14(20)21-15(3,4)5)13(19)17-7-6-11(18)9-17/h10,12H,6-9H2,1-5H3,(H,16,20)
InChIKey
OXSAMHINLHHUDH-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-methyl-1-oxo-1-(3-oxopyrrolidin-1-yl)pentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 172.9
[M+Na]+ 321.17849 175.9
[M-H]- 297.18199 174.3
[M+NH4]+ 316.22309 188.1
[M+K]+ 337.15243 176.0
[M+H-H2O]+ 281.18653 166.6
[M+HCOO]- 343.18747 189.0
[M+CH3COO]- 357.20312 205.6
[M+Na-2H]- 319.16394 170.1
[M]+ 298.18872 173.3
[M]- 298.18982 173.3
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.