CID 45123042

Methyl 4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)N1CCC(CC1)CO

InChI

InChI=1S/C8H15NO3/c1-12-8(11)9-4-2-7(6-10)3-5-9/h7,10H,2-6H2,1H3

InChIKey

XITRBDLPZVGVDX-UHFFFAOYSA-N

Compound name

methyl 4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 173.1052 Da
Monoisotopic Mass: 0.2
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]+	174.112476	138.3
[M+Na]+	196.094418	143.6
[M-H]-	172.097924	138.5
[M+NH4]+	191.139023	156.5
[M+K]+	212.068358	143.1
[M+H-H2O]+	156.102460	132.1
[M+HCOO]-	218.103401	155.9
[M+CH3COO]-	232.119051	175.3
[M+Na-2H]-	194.079866	141.6
[M]+	173.10465142	135.4
[M]-	173.10574858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe