CID 3693124

Nortropanoline

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

C1CC2(C(C(C(C1N2)O)O)O)O

InChI

InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2

InChIKey

FXFBVZOJVHCEDO-UHFFFAOYSA-N

Compound name

8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 205
Patents: 175.08446 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]+	176.09174	137.1
[M+Na]+	198.07368	144.4
[M-H]-	174.07718	132.3
[M+NH4]+	193.11828	158.3
[M+K]+	214.04762	140.8
[M+H-H2O]+	158.08172	134.1
[M+HCOO]-	220.08266	148.7
[M+CH3COO]-	234.09831	167.4
[M+Na-2H]-	196.05913	141.2
[M]+	175.08391	130.9
[M]-	175.08501	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe