CID 3527720

((benzyloxy)carbonyl)-l-prolyl-d-leucine

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)CC(C(=O)O)NC(=O)C1CCCN1
InChI
InChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
ZKQOUHVVXABNDG-UHFFFAOYSA-N
Compound name
4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

395
Patents

228.1474 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 156.6
[M+Na]+ 251.136618 158.6
[M-H]- 227.140124 155.0
[M+NH4]+ 246.181223 172.6
[M+K]+ 267.110558 157.4
[M+H-H2O]+ 211.144660 149.9
[M+HCOO]- 273.145601 172.0
[M+CH3COO]- 287.161251 187.9
[M+Na-2H]- 249.122066 153.9
[M]+ 228.14685142 151.2
[M]- 228.14794858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe