CID 14159864

Tert-butyl n-[(2r)-3-cyano-2-hydroxypropyl]carbamate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)NC[C@@H](CC#N)O
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4,6H2,1-3H3,(H,11,13)/t7-/m1/s1
InChIKey
IYEDXPKCFGTWDN-SSDOTTSWSA-N
Compound name
tert-butyl N-[(2R)-3-cyano-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 148.1
[M+Na]+ 223.105308 154.8
[M-H]- 199.108814 147.6
[M+NH4]+ 218.149913 164.6
[M+K]+ 239.079248 155.3
[M+H-H2O]+ 183.113350 136.7
[M+HCOO]- 245.114291 164.7
[M+CH3COO]- 259.129941 196.7
[M+Na-2H]- 221.090756 151.3
[M]+ 200.11554142 144.2
[M]- 200.11663858 144.2
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.