CID 11989604

Tert-butyl n-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate

Structural Information

Molecular Formula
C15H32N2O5
SMILES
CC(C)(C)OC(=O)NCCCOCCOCCOCCCN
InChI
InChI=1S/C15H32N2O5/c1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16/h4-13,16H2,1-3H3,(H,17,18)
InChIKey
WHHYAYNALHPDGJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

320.2311 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23838 180.0
[M+Na]+ 343.22032 182.0
[M-H]- 319.22382 178.2
[M+NH4]+ 338.26492 193.6
[M+K]+ 359.19426 182.1
[M+H-H2O]+ 303.22836 172.7
[M+HCOO]- 365.22930 201.1
[M+CH3COO]- 379.24495 211.9
[M+Na-2H]- 341.20577 181.8
[M]+ 320.23055 187.1
[M]- 320.23165 187.1
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