CID 83057

13027-05-9

Structural Information

Molecular Formula
C8H16N2O6
SMILES
C(CNC(=O)OCCO)NC(=O)OCCO
InChI
InChI=1S/C8H16N2O6/c11-3-5-15-7(13)9-1-2-10-8(14)16-6-4-12/h11-12H,1-6H2,(H,9,13)(H,10,14)
InChIKey
DZHNRGIKECGOGU-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-[2-(2-hydroxyethoxycarbonylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.10083 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10811 150.1
[M+Na]+ 259.09005 153.8
[M-H]- 235.09355 147.1
[M+NH4]+ 254.13465 165.5
[M+K]+ 275.06399 154.1
[M+H-H2O]+ 219.09809 143.6
[M+HCOO]- 281.09903 172.1
[M+CH3COO]- 295.11468 188.0
[M+Na-2H]- 257.07550 153.3
[M]+ 236.10028 152.2
[M]- 236.10138 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe