CID 165940571

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

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CC(C)(C)OC(=O)N(C)CCCOCCNC
InChI
InChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14(5)8-6-9-16-10-7-13-4/h13H,6-10H2,1-5H3
InChIKey
QUSOPPYSTAZFSP-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[3-[2-(methylamino)ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.201616 162.3
[M+Na]+ 269.183558 166.1
[M-H]- 245.187064 163.3
[M+NH4]+ 264.228163 180.1
[M+K]+ 285.157498 167.5
[M+H-H2O]+ 229.191600 156.0
[M+HCOO]- 291.192541 185.1
[M+CH3COO]- 305.208191 202.8
[M+Na-2H]- 267.169006 165.5
[M]+ 246.19379142 167.8
[M]- 246.19488858 167.8
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.