CID 121210464

1,2-diazaspiro[2.5]oct-1-ene-6-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1CC2(CCC1C(=O)O)N=N2
InChI
InChI=1S/C7H10N2O2/c10-6(11)5-1-3-7(4-2-5)8-9-7/h5H,1-4H2,(H,10,11)
InChIKey
PYHDUXONODREIA-UHFFFAOYSA-N
Compound name
1,2-diazaspiro[2.5]oct-1-ene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 139.7
[M+Na]+ 177.06345 148.9
[M-H]- 153.06695 142.3
[M+NH4]+ 172.10805 154.6
[M+K]+ 193.03739 146.8
[M+H-H2O]+ 137.07149 133.1
[M+HCOO]- 199.07243 157.7
[M+CH3COO]- 213.08808 174.9
[M+Na-2H]- 175.04890 146.5
[M]+ 154.07368 139.0
[M]- 154.07478 139.0
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