CID 33910

Carbamic acid, propyl-, diester with (methylimino)diethanol, hydrochloride

Structural Information

Molecular Formula
C13H27N3O4
SMILES
CCCNC(=O)OCCN(C)CCOC(=O)NCCC
InChI
InChI=1S/C13H27N3O4/c1-4-6-14-12(17)19-10-8-16(3)9-11-20-13(18)15-7-5-2/h4-11H2,1-3H3,(H,14,17)(H,15,18)
InChIKey
FVXXRYHFPSJSKA-UHFFFAOYSA-N
Compound name
2-[methyl-[2-(propylcarbamoyloxy)ethyl]amino]ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.20016 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.20744 172.3
[M+Na]+ 312.18938 174.2
[M-H]- 288.19288 172.7
[M+NH4]+ 307.23398 187.5
[M+K]+ 328.16332 175.5
[M+H-H2O]+ 272.19742 164.3
[M+HCOO]- 334.19836 196.7
[M+CH3COO]- 348.21401 211.9
[M+Na-2H]- 310.17483 173.2
[M]+ 289.19961 177.6
[M]- 289.20071 177.6
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.