CID 15946564

1-azabicyclo[2.2.1]heptane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CN2CCC1C2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-5-1-3-8(6)4-2-5/h5-6H,1-4H2,(H,9,10)
InChIKey
BSOXXQCXLBTRBM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

141.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 130.5
[M+Na]+ 164.068198 137.6
[M-H]- 140.071704 130.7
[M+NH4]+ 159.112803 155.1
[M+K]+ 180.042138 136.5
[M+H-H2O]+ 124.076240 125.9
[M+HCOO]- 186.077181 149.3
[M+CH3COO]- 200.092831 170.7
[M+Na-2H]- 162.053646 133.5
[M]+ 141.07843142 128.1
[M]- 141.07952858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe