CID 146606790

2803861-92-7

Structural Information

Molecular Formula
C12H26N2O4
SMILES
CC(C)(C)OC(=O)NCCCOCCOCCN
InChI
InChI=1S/C12H26N2O4/c1-12(2,3)18-11(15)14-6-4-7-16-9-10-17-8-5-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKey
GQHLAGYUNJCQKS-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-(2-aminoethoxy)ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.18927 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19655 164.7
[M+Na]+ 285.17849 168.1
[M-H]- 261.18199 163.5
[M+NH4]+ 280.22309 180.7
[M+K]+ 301.15243 168.2
[M+H-H2O]+ 245.18653 158.2
[M+HCOO]- 307.18747 186.5
[M+CH3COO]- 321.20312 200.8
[M+Na-2H]- 283.16394 167.7
[M]+ 262.18872 169.2
[M]- 262.18982 169.2
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