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 152.5
[M+Na]+ 249.12096 160.0
[M-H]- 225.12446 155.8
[M+NH4]+ 244.16556 170.7
[M+K]+ 265.09490 159.3
[M+H-H2O]+ 209.12900 141.1
[M+HCOO]- 271.12994 169.4
[M+CH3COO]- 285.14559 199.7
[M+Na-2H]- 247.10641 157.6
[M]+ 226.13119 148.3
[M]- 226.13229 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.