CID 16740838

Tert-butyl n-(1-cyanocyclohexyl)carbamate

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCCCC1)C#N
InChI
InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-8H2,1-3H3,(H,14,15)
InChIKey
FHEWQQKIHCOSKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyanocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 155.5
[M+Na]+ 247.14170 161.9
[M-H]- 223.14520 158.2
[M+NH4]+ 242.18630 173.4
[M+K]+ 263.11564 159.8
[M+H-H2O]+ 207.14974 144.2
[M+HCOO]- 269.15068 170.9
[M+CH3COO]- 283.16633 200.9
[M+Na-2H]- 245.12715 159.8
[M]+ 224.15193 147.9
[M]- 224.15303 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.