CID 165942533

Tert-butyl n-{3-[2-(methylamino)ethoxy]propyl}carbamate

Structural Information

Molecular Formula
C11H24N2O3
SMILES
CC(C)(C)OC(=O)NCCCOCCNC
InChI
InChI=1S/C11H24N2O3/c1-11(2,3)16-10(14)13-6-5-8-15-9-7-12-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKey
QBKPBYCIWHBARF-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-(methylamino)ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.1787 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.185976 157.7
[M+Na]+ 255.167918 161.7
[M-H]- 231.171424 157.4
[M+NH4]+ 250.212523 175.3
[M+K]+ 271.141858 161.9
[M+H-H2O]+ 215.175960 151.7
[M+HCOO]- 277.176901 180.3
[M+CH3COO]- 291.192551 196.3
[M+Na-2H]- 253.153366 162.1
[M]+ 232.17815142 161.5
[M]- 232.17924858 161.5
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