CID 14779835

Boc-asp(oall)-oh

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC=C)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-5-6-18-9(14)7-8(10(15)16)13-11(17)19-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKey
WZMNSEVEWIDHND-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

273.12125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 161.9
[M+Na]+ 296.11047 166.1
[M+NH4]+ 291.15507 164.1
[M+K]+ 312.08441 166.0
[M-H]- 272.11397 156.3
[M+Na-2H]- 294.09592 159.9
[M]+ 273.12070 160.1
[M]- 273.12180 160.1
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

patents stripe