CID 105428200

2-{2-azabicyclo[2.1.1]hexan-4-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C2CC1(CN2)CC(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)3-7-1-5(2-7)8-4-7/h5,8H,1-4H2,(H,9,10)
InChIKey
PLWYIBMBBWANJE-UHFFFAOYSA-N
Compound name
2-(2-azabicyclo[2.1.1]hexan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 138.4
[M+Na]+ 164.068198 143.9
[M-H]- 140.071704 135.8
[M+NH4]+ 159.112803 159.6
[M+K]+ 180.042138 144.6
[M+H-H2O]+ 124.076240 131.5
[M+HCOO]- 186.077181 152.7
[M+CH3COO]- 200.092831 173.8
[M+Na-2H]- 162.053646 144.8
[M]+ 141.07843142 148.3
[M]- 141.07952858 148.3
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.