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

13
Patents

276.2049 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.212176 169.2
[M+Na]+ 299.194118 172.2
[M-H]- 275.197624 167.8
[M+NH4]+ 294.238723 184.6
[M+K]+ 315.168058 172.1
[M+H-H2O]+ 259.202160 162.5
[M+HCOO]- 321.203101 190.7
[M+CH3COO]- 335.218751 203.8
[M+Na-2H]- 297.179566 171.7
[M]+ 276.20435142 174.1
[M]- 276.20544858 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