CID 177798997

4-methyl-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC12CCC(N1)(CC2)C(=O)O
InChI
InChI=1S/C8H13NO2/c1-7-2-4-8(9-7,5-3-7)6(10)11/h9H,2-5H2,1H3,(H,10,11)
InChIKey
LFBIESJKWWGTCM-UHFFFAOYSA-N
Compound name
4-methyl-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 135.9
[M+Na]+ 178.083858 143.4
[M-H]- 154.087364 134.9
[M+NH4]+ 173.128463 162.9
[M+K]+ 194.057798 140.9
[M+H-H2O]+ 138.091900 132.5
[M+HCOO]- 200.092841 152.8
[M+CH3COO]- 214.108491 169.4
[M+Na-2H]- 176.069306 140.9
[M]+ 155.09409142 132.4
[M]- 155.09518858 132.4
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.