CID 98368

1-nitro-dl-pipecolic acid

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

C1CCN(C(C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H10N2O4/c9-6(10)5-3-1-2-4-7(5)8(11)12/h5H,1-4H2,(H,9,10)

InChIKey

NVNPOFYSSSAIFL-UHFFFAOYSA-N

Compound name

1-nitropiperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.06406 Da
Monoisotopic Mass: 1.1
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]+	175.07134	133.2
[M+Na]+	197.05328	138.1
[M-H]-	173.05678	133.6
[M+NH4]+	192.09788	150.2
[M+K]+	213.02722	133.6
[M+H-H2O]+	157.06132	131.8
[M+HCOO]-	219.06226	152.5
[M+CH3COO]-	233.07791	169.5
[M+Na-2H]-	195.03873	139.0
[M]+	174.06351	127.1
[M]-	174.06461	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe