CID 155822726

2567496-25-5

Structural Information

Molecular Formula
C12H17NO3
SMILES
C=CC(=O)N1CCC2(CC1)CC(C2)C(=O)O
InChI
InChI=1S/C12H17NO3/c1-2-10(14)13-5-3-12(4-6-13)7-9(8-12)11(15)16/h2,9H,1,3-8H2,(H,15,16)
InChIKey
ZXYWTNXEKOHFST-UHFFFAOYSA-N
Compound name
7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 151.2
[M+Na]+ 246.11007 154.7
[M-H]- 222.11357 153.2
[M+NH4]+ 241.15467 162.8
[M+K]+ 262.08401 155.6
[M+H-H2O]+ 206.11811 140.4
[M+HCOO]- 268.11905 165.0
[M+CH3COO]- 282.13470 188.6
[M+Na-2H]- 244.09552 152.5
[M]+ 223.12030 154.6
[M]- 223.12140 154.6
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.