CID 170910072

2353781-67-4

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]+ 219.170316 153.9
[M+Na]+ 241.152258 157.9
[M-H]- 217.155764 153.5
[M+NH4]+ 236.196863 171.7
[M+K]+ 257.126198 159.1
[M+H-H2O]+ 201.160300 148.4
[M+HCOO]- 263.161241 174.3
[M+CH3COO]- 277.176891 194.5
[M+Na-2H]- 239.137706 155.3
[M]+ 218.16249142 155.0
[M]- 218.16358858 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.