CID 99718

Boc-asp-oh

Structural Information

Molecular Formula
C9H15NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1
InChIKey
KAJBMCZQVSQJDE-YFKPBYRVSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1305
Patents

233.08994 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09722 150.5
[M+Na]+ 256.07916 154.6
[M+NH4]+ 251.12376 153.0
[M+K]+ 272.05310 155.6
[M-H]- 232.08266 144.6
[M+Na-2H]- 254.06461 148.7
[M]+ 233.08939 148.5
[M]- 233.09049 148.5
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