CID 155973028

2648940-79-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCC12CC(C1)(NC2)C(=O)O
InChI
InChI=1S/C8H13NO2/c1-2-7-3-8(4-7,6(10)11)9-5-7/h9H,2-5H2,1H3,(H,10,11)
InChIKey
QZKMRYRQAKPAEX-UHFFFAOYSA-N
Compound name
4-ethyl-2-azabicyclo[2.1.1]hexane-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 145.7
[M+Na]+ 178.08386 151.8
[M-H]- 154.08736 143.3
[M+NH4]+ 173.12846 168.2
[M+K]+ 194.05780 151.7
[M+H-H2O]+ 138.09190 139.5
[M+HCOO]- 200.09284 159.5
[M+CH3COO]- 214.10849 176.4
[M+Na-2H]- 176.06931 152.4
[M]+ 155.09409 156.2
[M]- 155.09519 156.2
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.