CID 9628022

Akos024342421

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C/C(=N\C(=O)N)/CCC(=O)O
InChI
InChI=1S/C6H10N2O3/c1-4(8-6(7)11)2-3-5(9)10/h2-3H2,1H3,(H2,7,11)(H,9,10)/b8-4+
InChIKey
JZHLEPIKZVVHKC-XBXARRHUSA-N
Compound name
(4E)-4-carbamoyliminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 134.3
[M+Na]+ 181.05836 140.6
[M+NH4]+ 176.10296 139.5
[M+K]+ 197.03230 138.4
[M-H]- 157.06186 132.1
[M+Na-2H]- 179.04381 135.3
[M]+ 158.06859 133.8
[M]- 158.06969 133.8
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.