CID 322968

Prima-1

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

C1CN2CCC1C(=O)C2(CO)CO

InChI

InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2

InChIKey

RFBVBRVVOPAAFS-UHFFFAOYSA-N

Compound name

2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 86
References: 690
Patents: 185.1052 Da
Monoisotopic Mass: -0.6
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]+	186.112476	141.3
[M+Na]+	208.094418	146.8
[M-H]-	184.097924	134.4
[M+NH4]+	203.139023	165.0
[M+K]+	224.068358	144.3
[M+H-H2O]+	168.102460	137.1
[M+HCOO]-	230.103401	149.7
[M+CH3COO]-	244.119051	151.2
[M+Na-2H]-	206.079866	152.3
[M]+	185.10465142	142.0
[M]-	185.10574858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe