CID 177798930

1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CC2(CC1(CN2)C(=O)O)CO
InChI
InChI=1S/C8H13NO3/c10-5-8-2-1-7(3-8,4-9-8)6(11)12/h9-10H,1-5H2,(H,11,12)
InChIKey
WXKXHVKFFNBGPG-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 139.3
[M+Na]+ 194.07876 146.3
[M-H]- 170.08226 136.9
[M+NH4]+ 189.12336 164.9
[M+K]+ 210.05270 143.5
[M+H-H2O]+ 154.08680 136.1
[M+HCOO]- 216.08774 154.9
[M+CH3COO]- 230.10339 169.0
[M+Na-2H]- 192.06421 144.1
[M]+ 171.08899 135.5
[M]- 171.09009 135.5
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.