CID 11368477

Tert-butyl n-[(2s)-1-hydroxy-3-(1h-imidazol-4-yl)propan-2-yl]carbamate

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

11
Patents

241.14264 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 157.9
[M+Na]+ 264.13186 162.7
[M-H]- 240.13536 156.0
[M+NH4]+ 259.17646 172.8
[M+K]+ 280.10580 161.1
[M+H-H2O]+ 224.13990 150.8
[M+HCOO]- 286.14084 175.3
[M+CH3COO]- 300.15649 187.9
[M+Na-2H]- 262.11731 160.6
[M]+ 241.14209 157.2
[M]- 241.14319 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