CID 11368477

198471-95-3

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)CO
InChI
InChI=1S/C11H19N3O3/c1-11(2,3)17-10(16)14-9(6-15)4-8-5-12-7-13-8/h5,7,9,15H,4,6H2,1-3H3,(H,12,13)(H,14,16)/t9-/m0/s1
InChIKey
GUCQAQRQOPBPDH-VIFPVBQESA-N
Compound name
tert-butyl N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.14264 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 157.9
[M+Na]+ 264.131858 162.7
[M-H]- 240.135364 156.0
[M+NH4]+ 259.176463 172.8
[M+K]+ 280.105798 161.1
[M+H-H2O]+ 224.139900 150.8
[M+HCOO]- 286.140841 175.3
[M+CH3COO]- 300.156491 187.9
[M+Na-2H]- 262.117306 160.6
[M]+ 241.14209142 157.2
[M]- 241.14318858 157.2
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

patents stripe