CID 167740183

5-(prop-2-yn-1-yl)-1,2-diazaspiro[2.3]hex-1-ene-5-carboxylic acid

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C#CCC1(CC2(C1)N=N2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c1-2-3-7(6(11)12)4-8(5-7)9-10-8/h1H,3-5H2,(H,11,12)
InChIKey
CHMBYEZUVVFGBL-UHFFFAOYSA-N
Compound name
5-prop-2-ynyl-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

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 135.3
[M+Na]+ 187.04780 150.3
[M-H]- 163.05130 138.8
[M+NH4]+ 182.09240 146.2
[M+K]+ 203.02174 147.9
[M+H-H2O]+ 147.05584 123.2
[M+HCOO]- 209.05678 150.3
[M+CH3COO]- 223.07243 189.1
[M+Na-2H]- 185.03325 143.4
[M]+ 164.05803 142.2
[M]- 164.05913 142.2
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.