CID 18670516

203663-17-6

Structural Information

Molecular Formula

C₁₄H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCC#N

InChI

InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-10-7-12(8-11-16)6-4-5-9-15/h12H,4-8,10-11H2,1-3H3

InChIKey

JXFWEZIJGDGRRZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-cyanopropyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 252.18378 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]+	253.19106	160.0
[M+Na]+	275.17300	165.9
[M-H]-	251.17650	160.9
[M+NH4]+	270.21760	174.3
[M+K]+	291.14694	163.9
[M+H-H2O]+	235.18104	146.9
[M+HCOO]-	297.18198	172.6
[M+CH3COO]-	311.19763	205.7
[M+Na-2H]-	273.15845	161.7
[M]+	252.18323	154.2
[M]-	252.18433	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe