CID 127591827

1,3-bis(1-hydroxy-2-methylpropan-2-yl)urea

Structural Information

Molecular Formula
C9H20N2O3
SMILES
CC(C)(CO)NC(=O)NC(C)(C)CO
InChI
InChI=1S/C9H20N2O3/c1-8(2,5-12)10-7(14)11-9(3,4)6-13/h12-13H,5-6H2,1-4H3,(H2,10,11,14)
InChIKey
BQPUQZGYVLFVII-UHFFFAOYSA-N
Compound name
1,3-bis(1-hydroxy-2-methylpropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.1474 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.154676 148.5
[M+Na]+ 227.136618 152.8
[M-H]- 203.140124 145.9
[M+NH4]+ 222.181223 165.7
[M+K]+ 243.110558 152.2
[M+H-H2O]+ 187.144660 144.0
[M+HCOO]- 249.145601 167.1
[M+CH3COO]- 263.161251 186.4
[M+Na-2H]- 225.122066 153.8
[M]+ 204.14685142 147.2
[M]- 204.14794858 147.2
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

patents stripe