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

0
Patents

126.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 130.3
[M+Na]+ 149.03215 140.1
[M-H]- 125.03565 133.6
[M+NH4]+ 144.07675 140.5
[M+K]+ 165.00609 141.1
[M+H-H2O]+ 109.04019 119.9
[M+HCOO]- 171.04113 149.8
[M+CH3COO]- 185.05678 174.4
[M+Na-2H]- 147.01760 138.0
[M]+ 126.04238 140.7
[M]- 126.04348 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

No patent data available for this compound.