CID 10702853

2378503-61-6

Structural Information

Molecular Formula
C8H18N2O3
SMILES
CC(C)(C)OC(=O)NC[C@@H](CO)N
InChI
InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-4-6(9)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKey
PCTCLLZTTRWASL-LURJTMIESA-N
Compound name
tert-butyl N-[(2S)-2-amino-3-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

190.13174 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.139016 145.1
[M+Na]+ 213.120958 149.7
[M-H]- 189.124464 143.5
[M+NH4]+ 208.165563 163.3
[M+K]+ 229.094898 149.9
[M+H-H2O]+ 173.129000 140.0
[M+HCOO]- 235.129941 165.6
[M+CH3COO]- 249.145591 185.0
[M+Na-2H]- 211.106406 148.1
[M]+ 190.13119142 144.1
[M]- 190.13228858 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