CID 7009416

Boc-asp(ochx)-oh

Structural Information

Molecular Formula
C15H25NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)O
InChI
InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKey
NLPQIWFEEKQBBN-NSHDSACASA-N
Compound name
(2S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

315.16818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17546 172.0
[M+Na]+ 338.15740 175.7
[M+NH4]+ 333.20200 175.1
[M+K]+ 354.13134 175.2
[M-H]- 314.16090 168.8
[M+Na-2H]- 336.14285 171.3
[M]+ 315.16763 170.8
[M]- 315.16873 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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