CID 33912

27475-01-0

Structural Information

Molecular Formula
C15H31N3O4
SMILES
CCCCNC(=O)OCCN(C)CCOC(=O)NCCCC
InChI
InChI=1S/C15H31N3O4/c1-4-6-8-16-14(19)21-12-10-18(3)11-13-22-15(20)17-9-7-5-2/h4-13H2,1-3H3,(H,16,19)(H,17,20)
InChIKey
DRFMYYOZZMIFDE-UHFFFAOYSA-N
Compound name
2-[2-(butylcarbamoyloxy)ethyl-methylamino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23145 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.23873 181.2
[M+Na]+ 340.22067 182.3
[M-H]- 316.22417 181.3
[M+NH4]+ 335.26527 195.3
[M+K]+ 356.19461 183.1
[M+H-H2O]+ 300.22871 172.9
[M+HCOO]- 362.22965 204.9
[M+CH3COO]- 376.24530 217.9
[M+Na-2H]- 338.20612 181.1
[M]+ 317.23090 187.3
[M]- 317.23200 187.3
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

No patent data available for this compound.