CID 10753247

121496-39-7

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(9-10-16)11-12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKey
LBYKHAZJINITAL-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

251.15215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 160.3
[M+Na]+ 274.141368 164.9
[M-H]- 250.144874 163.4
[M+NH4]+ 269.185973 177.1
[M+K]+ 290.115308 164.3
[M+H-H2O]+ 234.149410 153.7
[M+HCOO]- 296.150351 181.6
[M+CH3COO]- 310.166001 196.5
[M+Na-2H]- 272.126816 164.4
[M]+ 251.15160142 162.9
[M]- 251.15269858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe