CID 165867445

Tert-butyl n-[3-(cyanomethyl)oxolan-3-yl]carbamate

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)NC1(CCOC1)CC#N
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-11(4-6-12)5-7-15-8-11/h4-5,7-8H2,1-3H3,(H,13,14)
InChIKey
HJVYARLDQZHZHO-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(cyanomethyl)oxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 151.2
[M+Na]+ 249.12096 157.8
[M+NH4]+ 244.16556 155.2
[M+K]+ 265.09490 151.5
[M-H]- 225.12446 144.4
[M+Na-2H]- 247.10641 152.2
[M]+ 226.13119 149.2
[M]- 226.13229 149.2
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.