CID 82669604

Tert-butyl n-[(2r)-1-amino-3-hydroxypropan-2-yl]carbamate

Structural Information

Molecular Formula
C8H18N2O3
SMILES
CC(C)(C)OC(=O)N[C@H](CN)CO
InChI
InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-6(4-9)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKey
CUFWQCDBEALMAQ-ZCFIWIBFSA-N
Compound name
tert-butyl N-[(2R)-1-amino-3-hydroxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.13174 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.13902 145.1
[M+Na]+ 213.12096 149.7
[M-H]- 189.12446 143.5
[M+NH4]+ 208.16556 163.3
[M+K]+ 229.09490 149.9
[M+H-H2O]+ 173.12900 140.0
[M+HCOO]- 235.12994 165.6
[M+CH3COO]- 249.14559 185.0
[M+Na-2H]- 211.10641 148.1
[M]+ 190.13119 144.1
[M]- 190.13229 144.1
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