CID 7009623

H-val-glu-oh

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKey
UPJONISHZRADBH-XPUUQOCRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4694
Patents

246.12157 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12885 157.2
[M+Na]+ 269.11079 159.7
[M+NH4]+ 264.15539 159.4
[M+K]+ 285.08473 160.8
[M-H]- 245.11429 152.1
[M+Na-2H]- 267.09624 154.1
[M]+ 246.12102 155.0
[M]- 246.12212 155.0
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

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