CID 131153754

1,2-diazaspiro[2.3]hex-1-ene-5-carboxylic acid

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1C(CC12N=N2)C(=O)O
InChI
InChI=1S/C5H6N2O2/c8-4(9)3-1-5(2-3)6-7-5/h3H,1-2H2,(H,8,9)
InChIKey
PZCKQYOZSSOJGI-UHFFFAOYSA-N
Compound name
1,2-diazaspiro[2.3]hex-1-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 130.3
[M+Na]+ 149.032148 140.1
[M-H]- 125.035654 133.6
[M+NH4]+ 144.076753 140.5
[M+K]+ 165.006088 141.1
[M+H-H2O]+ 109.040190 119.9
[M+HCOO]- 171.041131 149.8
[M+CH3COO]- 185.056781 174.4
[M+Na-2H]- 147.017596 138.0
[M]+ 126.04238142 140.7
[M]- 126.04347858 140.7
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

patents stripe