CID 44204854

1986990-18-4

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1C[C@H]2[C@@H](C[C@@H]1N2)C(=O)O

InChI

InChI=1S/C7H11NO2/c9-7(10)5-3-4-1-2-6(5)8-4/h4-6,8H,1-3H2,(H,9,10)/t4-,5-,6+/m1/s1

InChIKey

ABNBSYHDPQDEOA-PBXRRBTRSA-N

Compound name

(1S,2R,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 141.07898 Da
Monoisotopic Mass: -2.2
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	131.1
[M+Na]+	164.068198	137.8
[M-H]-	140.071704	129.9
[M+NH4]+	159.112803	155.0
[M+K]+	180.042138	135.8
[M+H-H2O]+	124.076240	126.8
[M+HCOO]-	186.077181	148.4
[M+CH3COO]-	200.092831	168.1
[M+Na-2H]-	162.053646	133.6
[M]+	141.07843142	126.9
[M]-	141.07952858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.