CID 170910072

Tert-butyl n-(4-amino-2-hydroxybutyl)-n-methylcarbamate

Structural Information

Molecular Formula
C10H22N2O3
SMILES
CC(C)(C)OC(=O)N(C)CC(CCN)O
InChI
InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12(4)7-8(13)5-6-11/h8,13H,5-7,11H2,1-4H3
InChIKey
PTEFTEGIKQGPBK-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-2-hydroxybutyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16304 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17032 153.9
[M+Na]+ 241.15226 157.9
[M-H]- 217.15576 153.5
[M+NH4]+ 236.19686 171.7
[M+K]+ 257.12620 159.1
[M+H-H2O]+ 201.16030 148.4
[M+HCOO]- 263.16124 174.3
[M+CH3COO]- 277.17689 194.5
[M+Na-2H]- 239.13771 155.3
[M]+ 218.16249 155.0
[M]- 218.16359 155.0
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

No patent data available for this compound.