CID 382298

Nsc669760

Structural Information

Molecular Formula
C11H19N3O4
SMILES
CC(NC(=O)C1CCC1)NC(=O)C(CC(=O)O)N
InChI
InChI=1S/C11H19N3O4/c1-6(13-10(17)7-3-2-4-7)14-11(18)8(12)5-9(15)16/h6-8H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKey
VUHVGIUNTZKDFX-UHFFFAOYSA-N
Compound name
3-amino-4-[1-(cyclobutanecarbonylamino)ethylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.13754 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14482 170.6
[M+Na]+ 280.12676 169.0
[M-H]- 256.13026 170.7
[M+NH4]+ 275.17136 177.5
[M+K]+ 296.10070 173.0
[M+H-H2O]+ 240.13480 156.3
[M+HCOO]- 302.13574 187.4
[M+CH3COO]- 316.15139 204.1
[M+Na-2H]- 278.11221 166.2
[M]+ 257.13699 173.6
[M]- 257.13809 173.6
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.