CID 3046723

Butyl-p-tolylurea

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCN(C1=CC=C(C=C1)C)C(=O)N
InChI
InChI=1S/C12H18N2O/c1-3-4-9-14(12(13)15)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,15)
InChIKey
NNTKRQXCSQJNDG-UHFFFAOYSA-N
Compound name
1-butyl-1-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 149.0
[M+Na]+ 229.13112 154.5
[M-H]- 205.13462 153.3
[M+NH4]+ 224.17572 167.9
[M+K]+ 245.10506 153.3
[M+H-H2O]+ 189.13916 142.0
[M+HCOO]- 251.14010 173.9
[M+CH3COO]- 265.15575 195.5
[M+Na-2H]- 227.11657 152.3
[M]+ 206.14135 149.1
[M]- 206.14245 149.1
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.