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

3
Patents

204.1474 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15468 148.5
[M+Na]+ 227.13662 152.8
[M-H]- 203.14012 145.9
[M+NH4]+ 222.18122 165.7
[M+K]+ 243.11056 152.2
[M+H-H2O]+ 187.14466 144.0
[M+HCOO]- 249.14560 167.1
[M+CH3COO]- 263.16125 186.4
[M+Na-2H]- 225.12207 153.8
[M]+ 204.14685 147.2
[M]- 204.14795 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