CID 86654723

1312692-11-7

Structural Information

Molecular Formula
C10H22N2O3
SMILES
CCOC[C@@H](CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H22N2O3/c1-5-14-7-8(6-11)12-9(13)15-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m1/s1
InChIKey
OFMRNPHYQQDHGV-MRVPVSSYSA-N
Compound name
tert-butyl N-[(2R)-1-amino-3-ethoxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

218.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.170316 153.8
[M+Na]+ 241.152258 158.0
[M-H]- 217.155764 153.2
[M+NH4]+ 236.196863 171.7
[M+K]+ 257.126198 158.6
[M+H-H2O]+ 201.160300 148.1
[M+HCOO]- 263.161241 175.1
[M+CH3COO]- 277.176891 193.5
[M+Na-2H]- 239.137706 156.4
[M]+ 218.16249142 155.5
[M]- 218.16358858 155.5
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