CID 3328705

Leu-asp

Structural Information

Molecular Formula
C10H18N2O5
SMILES
CC(C)CC(C(=O)NC(CC(=O)O)C(=O)O)N
InChI
InChI=1S/C10H18N2O5/c1-5(2)3-6(11)9(15)12-7(10(16)17)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKey
DVCSNHXRZUVYAM-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylpentanoyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2214
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

No literature data available for this compound.

Patent stripe

patents stripe