CID 14533831

Hec

Structural Information

Molecular Formula
C10H21N3O6
SMILES
C(CNC(=O)OCCO)NCCNC(=O)OCCO
InChI
InChI=1S/C10H21N3O6/c14-5-7-18-9(16)12-3-1-11-2-4-13-10(17)19-8-6-15/h11,14-15H,1-8H2,(H,12,16)(H,13,17)
InChIKey
SNLOCZNHZVSXBG-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-[2-[2-(2-hydroxyethoxycarbonylamino)ethylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

279.14304 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15032 160.7
[M+Na]+ 302.13226 162.5
[M-H]- 278.13576 157.2
[M+NH4]+ 297.17686 173.9
[M+K]+ 318.10620 162.5
[M+H-H2O]+ 262.14030 153.1
[M+HCOO]- 324.14124 182.9
[M+CH3COO]- 338.15689 199.5
[M+Na-2H]- 300.11771 163.3
[M]+ 279.14249 162.6
[M]- 279.14359 162.6
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

patents stripe