CID 18218188

Asn-val

Structural Information

Molecular Formula
C9H17N3O4
SMILES
CC(C)C(C(=O)O)NC(=O)C(CC(=O)N)N
InChI
InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKey
KWBQPGIYEZKDEG-UHFFFAOYSA-N
Compound name
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

231.1219 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.12918 154.2
[M+Na]+ 254.11112 156.2
[M+NH4]+ 249.15572 156.8
[M+K]+ 270.08506 157.4
[M-H]- 230.11462 150.2
[M+Na-2H]- 252.09657 151.5
[M]+ 231.12135 152.2
[M]- 231.12245 152.2
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

No patent data available for this compound.