CID 209737

Urea, (3-(2,6-xylyl)propyl)-

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1=C(C(=CC=C1)C)CCCNC(=O)N
InChI
InChI=1S/C12H18N2O/c1-9-5-3-6-10(2)11(9)7-4-8-14-12(13)15/h3,5-6H,4,7-8H2,1-2H3,(H3,13,14,15)
InChIKey
DIAYUQSXYQNXSX-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylphenyl)propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.7
[M+Na]+ 229.13112 159.2
[M+NH4]+ 224.17572 156.2
[M+K]+ 245.10506 153.0
[M-H]- 205.13462 151.4
[M+Na-2H]- 227.11657 154.1
[M]+ 206.14135 150.7
[M]- 206.14245 150.7
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.