CID 74840

N-benzyloxycarbonyl-l-leucine

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey
USPFMEKVPDBMCG-LBPRGKRZSA-N
Compound name
(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2431
Patents

265.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 162.9
[M+Na]+ 288.120618 166.3
[M-H]- 264.124124 164.4
[M+NH4]+ 283.165223 177.8
[M+K]+ 304.094558 165.3
[M+H-H2O]+ 248.128660 155.9
[M+HCOO]- 310.129601 182.6
[M+CH3COO]- 324.145251 197.4
[M+Na-2H]- 286.106066 163.3
[M]+ 265.13085142 163.6
[M]- 265.13194858 163.6
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