CID 85235

2-isobutoxyethyl bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C9H19NO5
SMILES
CC(C)COCCOC(=O)N(CO)CO
InChI
InChI=1S/C9H19NO5/c1-8(2)5-14-3-4-15-9(13)10(6-11)7-12/h8,11-12H,3-7H2,1-2H3
InChIKey
GZDSLVJYTXIYNB-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)ethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12633 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13361 150.5
[M+Na]+ 244.11555 156.2
[M+NH4]+ 239.16015 154.9
[M+K]+ 260.08949 154.3
[M-H]- 220.11905 147.0
[M+Na-2H]- 242.10100 150.3
[M]+ 221.12578 149.6
[M]- 221.12688 149.6
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.