CID 20825555

507264-68-8

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CC1)C#N

InChI

InChI=1S/C9H14N2O2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)

InChIKey

RBTYXJDLTHWWTG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyanocyclopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 182.10553 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]+	183.112806	140.8
[M+Na]+	205.094748	155.0
[M-H]-	181.098254	147.4
[M+NH4]+	200.139353	157.8
[M+K]+	221.068688	151.0
[M+H-H2O]+	165.102790	132.9
[M+HCOO]-	227.103731	161.2
[M+CH3COO]-	241.119381	197.2
[M+Na-2H]-	203.080196	148.9
[M]+	182.10498142	141.4
[M]-	182.10607858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe