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
2
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]+ 208.117946 146.6
[M+Na]+ 230.099888 151.2
[M-H]- 206.103394 145.2
[M+NH4]+ 225.144493 164.3
[M+K]+ 246.073828 152.8
[M+H-H2O]+ 190.107930 140.8
[M+HCOO]- 252.108871 167.7
[M+CH3COO]- 266.124521 186.0
[M+Na-2H]- 228.085336 148.6
[M]+ 207.11012142 150.3
[M]- 207.11121858 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.