CID 23156917

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

Structural Information

Molecular Formula
C13H28N2O4
SMILES
CC(C)(C)OC(=O)NCCCOCCOCCCN
InChI
InChI=1S/C13H28N2O4/c1-13(2,3)19-12(16)15-7-5-9-18-11-10-17-8-4-6-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKey
VENKBTRFJOWPPW-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-(3-aminopropoxy)ethoxy]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

276.2049 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21218 169.2
[M+Na]+ 299.19412 172.2
[M-H]- 275.19762 167.8
[M+NH4]+ 294.23872 184.6
[M+K]+ 315.16806 172.1
[M+H-H2O]+ 259.20216 162.5
[M+HCOO]- 321.20310 190.7
[M+CH3COO]- 335.21875 203.8
[M+Na-2H]- 297.17957 171.7
[M]+ 276.20435 174.1
[M]- 276.20545 174.1
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