CID 122697870

Tert-butyl n-{[(2-hydroxyethyl)carbamoyl]methyl}carbamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)NCC(=O)NCCO
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6-7(13)10-4-5-12/h12H,4-6H2,1-3H3,(H,10,13)(H,11,14)
InChIKey
SHEVMIDBTJKQTB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-hydroxyethylamino)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

218.12666 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 150.5
[M+Na]+ 241.115878 154.9
[M-H]- 217.119384 149.2
[M+NH4]+ 236.160483 167.8
[M+K]+ 257.089818 155.2
[M+H-H2O]+ 201.123920 145.0
[M+HCOO]- 263.124861 171.7
[M+CH3COO]- 277.140511 189.2
[M+Na-2H]- 239.101326 154.3
[M]+ 218.12611142 151.6
[M]- 218.12720858 151.6
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