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]+ 159.076416 133.5
[M+Na]+ 181.058358 139.2
[M-H]- 157.061864 133.4
[M+NH4]+ 176.102963 153.2
[M+K]+ 197.032298 139.6
[M+H-H2O]+ 141.066400 127.9
[M+HCOO]- 203.067341 157.0
[M+CH3COO]- 217.082991 180.9
[M+Na-2H]- 179.043806 136.0
[M]+ 158.06859142 132.1
[M]- 158.06968858 132.1
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.