CID 73425070

1628783-92-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C2CC1(CNC2)C(=O)O

InChI

InChI=1S/C7H11NO2/c9-6(10)7-1-5(2-7)3-8-4-7/h5,8H,1-4H2,(H,9,10)

InChIKey

LGFNFJFXFLVBEW-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.1.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 141.07898 Da
Monoisotopic Mass: -2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	142.086256	140.0
[M+Na]+	164.068198	144.3
[M-H]-	140.071704	135.1
[M+NH4]+	159.112803	158.1
[M+K]+	180.042138	145.4
[M+H-H2O]+	124.076240	131.6
[M+HCOO]-	186.077181	149.6
[M+CH3COO]-	200.092831	175.5
[M+Na-2H]-	162.053646	150.1
[M]+	141.07843142	147.5
[M]-	141.07952858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe