CID 3048969

Leucine, n-carboxy-, n-benzyl 1-vinyl ester

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)C[C@@H](C(=O)OC=C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H21NO4/c1-4-20-15(18)14(10-12(2)3)17-16(19)21-11-13-8-6-5-7-9-13/h4-9,12,14H,1,10-11H2,2-3H3,(H,17,19)/t14-/m0/s1
InChIKey
LKQCSDCDNVVBGO-AWEZNQCLSA-N
Compound name
ethenyl (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 170.6
[M+Na]+ 314.13628 173.9
[M-H]- 290.13978 173.2
[M+NH4]+ 309.18088 185.2
[M+K]+ 330.11022 172.7
[M+H-H2O]+ 274.14432 163.1
[M+HCOO]- 336.14526 191.4
[M+CH3COO]- 350.16091 204.3
[M+Na-2H]- 312.12173 170.4
[M]+ 291.14651 173.1
[M]- 291.14761 173.1
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

No patent data available for this compound.