CID 14534774

Dtxsid301343113

Structural Information

Molecular Formula
C14H28N2O6
SMILES
CC(CCCNC(=O)OCC(C)O)CNC(=O)OCC(C)O
InChI
InChI=1S/C14H28N2O6/c1-10(7-16-14(20)22-9-12(3)18)5-4-6-15-13(19)21-8-11(2)17/h10-12,17-18H,4-9H2,1-3H3,(H,15,19)(H,16,20)
InChIKey
IYNGUDJRJKSNAX-UHFFFAOYSA-N
Compound name
2-hydroxypropyl N-[5-(2-hydroxypropoxycarbonylamino)-2-methylpentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.19473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20201 179.4
[M+Na]+ 343.18395 179.9
[M-H]- 319.18745 175.6
[M+NH4]+ 338.22855 191.2
[M+K]+ 359.15789 180.7
[M+H-H2O]+ 303.19199 172.2
[M+HCOO]- 365.19293 196.4
[M+CH3COO]- 379.20858 208.7
[M+Na-2H]- 341.16940 175.7
[M]+ 320.19418 181.8
[M]- 320.19528 181.8
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.