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]+ 227.139016 152.5
[M+Na]+ 249.120958 160.0
[M-H]- 225.124464 155.8
[M+NH4]+ 244.165563 170.7
[M+K]+ 265.094898 159.3
[M+H-H2O]+ 209.129000 141.1
[M+HCOO]- 271.129941 169.4
[M+CH3COO]- 285.145591 199.7
[M+Na-2H]- 247.106406 157.6
[M]+ 226.13119142 148.3
[M]- 226.13228858 148.3
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.