CID 3549397

H-b-asp-leu-oh

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12157 Da
Monoisotopic Mass

-2.8
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

No patent data available for this compound.