CID 154703393

2375193-32-9

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(CC(C1)(C2)N)C(=O)O
InChI
InChI=1S/C8H13NO2/c9-8-3-1-2-7(4-8,5-8)6(10)11/h1-5,9H2,(H,10,11)
InChIKey
ANOAGBGBTWMTTC-UHFFFAOYSA-N
Compound name
5-aminobicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 147.3
[M+Na]+ 178.08386 151.8
[M-H]- 154.08736 144.8
[M+NH4]+ 173.12846 168.1
[M+K]+ 194.05780 152.8
[M+H-H2O]+ 138.09190 139.6
[M+HCOO]- 200.09284 159.3
[M+CH3COO]- 214.10849 182.2
[M+Na-2H]- 176.06931 157.2
[M]+ 155.09409 155.0
[M]- 155.09519 155.0
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.