CID 23156917

Carbamic acid, n-[3-[2-(3-aminopropoxy)ethoxy]propyl]-, 1,1-dimethylethyl ester

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 167.9
[M+Na]+ 299.19412 172.6
[M+NH4]+ 294.23872 171.9
[M+K]+ 315.16806 169.2
[M-H]- 275.19762 165.2
[M+Na-2H]- 297.17957 167.6
[M]+ 276.20435 167.1
[M]- 276.20545 167.1
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