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 146.6
[M+Na]+ 230.09989 151.2
[M-H]- 206.10339 145.2
[M+NH4]+ 225.14449 164.3
[M+K]+ 246.07383 152.8
[M+H-H2O]+ 190.10793 140.8
[M+HCOO]- 252.10887 167.7
[M+CH3COO]- 266.12452 186.0
[M+Na-2H]- 228.08534 148.6
[M]+ 207.11012 150.3
[M]- 207.11122 150.3
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.