CID 16087192

394735-20-7

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)NC(CC1CCC1)C(C#N)O
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-10(11(16)8-14)7-9-5-4-6-9/h9-11,16H,4-7H2,1-3H3,(H,15,17)
InChIKey
LZUUVDRIDDRQHN-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyano-3-cyclobutyl-1-hydroxypropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

254.16304 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 164.7
[M+Na]+ 277.152258 167.1
[M-H]- 253.155764 165.8
[M+NH4]+ 272.196863 172.8
[M+K]+ 293.126198 171.2
[M+H-H2O]+ 237.160300 147.2
[M+HCOO]- 299.161241 177.4
[M+CH3COO]- 313.176891 209.0
[M+Na-2H]- 275.137706 164.1
[M]+ 254.16249142 166.4
[M]- 254.16358858 166.4
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

patents stripe