CID 10879384

N-(tert-butoxycarbonyl)-l-leucine methyl ester

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m0/s1
InChIKey
QSEVMIMUBKMNOU-VIFPVBQESA-N
Compound name
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

150
Patents

245.1627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.2
[M+Na]+ 268.151918 163.5
[M-H]- 244.155424 159.2
[M+NH4]+ 263.196523 176.5
[M+K]+ 284.125858 164.9
[M+H-H2O]+ 228.159960 154.1
[M+HCOO]- 290.160901 178.1
[M+CH3COO]- 304.176551 197.4
[M+Na-2H]- 266.137366 159.5
[M]+ 245.16215142 163.1
[M]- 245.16324858 163.1
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