CID 16740508

912770-99-1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CCCC1)C#N

InChI

InChI=1S/C11H18N2O2/c1-10(2,3)15-9(14)13-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H,13,14)

InChIKey

LRMWZGZPJOFYIM-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyanocyclopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 210.13683 Da
Monoisotopic Mass: 1.8
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]+	211.14411	152.6
[M+Na]+	233.12605	160.2
[M-H]-	209.12955	155.6
[M+NH4]+	228.17065	172.6
[M+K]+	249.09999	157.9
[M+H-H2O]+	193.13409	141.3
[M+HCOO]-	255.13503	170.1
[M+CH3COO]-	269.15068	197.9
[M+Na-2H]-	231.11150	156.4
[M]+	210.13628	146.5
[M]-	210.13738	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe