CID 110459912

1602185-16-9

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CN(C)C(=O)NC1CCC(CC1)O
InChI
InChI=1S/C9H18N2O2/c1-11(2)9(13)10-7-3-5-8(12)6-4-7/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKey
UGIISPDSWGWEDS-UHFFFAOYSA-N
Compound name
3-(4-hydroxycyclohexyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 142.9
[M+Na]+ 209.12605 146.2
[M-H]- 185.12955 145.7
[M+NH4]+ 204.17065 161.9
[M+K]+ 225.09999 146.4
[M+H-H2O]+ 169.13409 136.7
[M+HCOO]- 231.13503 163.7
[M+CH3COO]- 245.15068 187.0
[M+Na-2H]- 207.11150 145.4
[M]+ 186.13628 138.1
[M]- 186.13738 138.1
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.