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]+ 156.10192 135.9
[M+Na]+ 178.08386 143.4
[M-H]- 154.08736 134.9
[M+NH4]+ 173.12846 162.9
[M+K]+ 194.05780 140.9
[M+H-H2O]+ 138.09190 132.5
[M+HCOO]- 200.09284 152.8
[M+CH3COO]- 214.10849 169.4
[M+Na-2H]- 176.06931 140.9
[M]+ 155.09409 132.4
[M]- 155.09519 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.