CID 57368934

479080-30-3

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCCCC1C(=NO)N

InChI

InChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-7-5-4-6-8(14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)

InChIKey

XZCPIKZHYXKFQO-UHFFFAOYSA-N

Compound name

tert-butyl 2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 243.1583 Da
Monoisotopic Mass: 1.2
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]+	244.165576	157.6
[M+Na]+	266.147518	160.9
[M-H]-	242.151024	158.5
[M+NH4]+	261.192123	172.8
[M+K]+	282.121458	160.6
[M+H-H2O]+	226.155560	150.8
[M+HCOO]-	288.156501	174.8
[M+CH3COO]-	302.172151	195.6
[M+Na-2H]-	264.132966	159.3
[M]+	243.15775142	153.2
[M]-	243.15884858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe