CID 166405851

6-(prop-2-enoyl)-6-azaspiro(2.5)octane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
C=CC(=O)N1CCC2(CC1)CC2C(=O)O
InChI
InChI=1S/C11H15NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h2,8H,1,3-7H2,(H,14,15)
InChIKey
YMDDLTYYBUUFPY-UHFFFAOYSA-N
Compound name
6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 150.6
[M+Na]+ 232.09442 158.4
[M-H]- 208.09792 154.1
[M+NH4]+ 227.13902 164.7
[M+K]+ 248.06836 155.5
[M+H-H2O]+ 192.10246 145.1
[M+HCOO]- 254.10340 166.6
[M+CH3COO]- 268.11905 185.9
[M+Na-2H]- 230.07987 153.2
[M]+ 209.10465 149.5
[M]- 209.10575 149.5
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.