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]+ 201.12337 148.1
[M+Na]+ 223.10531 154.8
[M-H]- 199.10881 147.6
[M+NH4]+ 218.14991 164.6
[M+K]+ 239.07925 155.3
[M+H-H2O]+ 183.11335 136.7
[M+HCOO]- 245.11429 164.7
[M+CH3COO]- 259.12994 196.7
[M+Na-2H]- 221.09076 151.3
[M]+ 200.11554 144.2
[M]- 200.11664 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.