CID 137698935

1,2-diazaspiro[2.4]hept-1-ene-5-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1CC2(CC1C(=O)O)N=N2
InChI
InChI=1S/C6H8N2O2/c9-5(10)4-1-2-6(3-4)7-8-6/h4H,1-3H2,(H,9,10)
InChIKey
WCDABLSHZXJGDG-UHFFFAOYSA-N
Compound name
1,2-diazaspiro[2.4]hept-1-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 133.7
[M+Na]+ 163.047798 144.2
[M-H]- 139.051304 136.7
[M+NH4]+ 158.092403 150.9
[M+K]+ 179.021738 142.0
[M+H-H2O]+ 123.055840 127.8
[M+HCOO]- 185.056781 153.9
[M+CH3COO]- 199.072431 171.8
[M+Na-2H]- 161.033246 139.7
[M]+ 140.05803142 134.7
[M]- 140.05912858 134.7
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