CID 21202810

119102-95-3

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CN2CCC1(C2)C(=O)O

InChI

InChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10)

InChIKey

CWVQBVRGOKBTQJ-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.1]heptane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 141.07898 Da
Monoisotopic Mass: -2.4
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]+	142.08626	130.9
[M+Na]+	164.06820	138.2
[M-H]-	140.07170	131.1
[M+NH4]+	159.11280	157.2
[M+K]+	180.04214	136.9
[M+H-H2O]+	124.07624	126.7
[M+HCOO]-	186.07718	149.7
[M+CH3COO]-	200.09283	169.1
[M+Na-2H]-	162.05365	135.7
[M]+	141.07843	128.5
[M]-	141.07953	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe