CID 110224

2-isopropoxyethyl bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C8H17NO5
SMILES
CC(C)OCCOC(=O)N(CO)CO
InChI
InChI=1S/C8H17NO5/c1-7(2)13-3-4-14-8(12)9(5-10)6-11/h7,10-11H,3-6H2,1-2H3
InChIKey
JPRGMWPQMBXHAO-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.11067 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11795 146.1
[M+Na]+ 230.09989 152.1
[M+NH4]+ 225.14449 150.7
[M+K]+ 246.07383 150.4
[M-H]- 206.10339 142.7
[M+Na-2H]- 228.08534 146.2
[M]+ 207.11012 145.3
[M]- 207.11122 145.3
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.