CID 67797498

Dtxsid801028671

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C13H17ClN2O/c14-11-7-5-10(6-8-11)9-16(13(15)17)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H2,15,17)
InChIKey
KVGVYLUYQOWTHY-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-1-cyclopentylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 159.6
[M+Na]+ 275.09216 164.6
[M-H]- 251.09566 166.4
[M+NH4]+ 270.13676 178.6
[M+K]+ 291.06610 160.9
[M+H-H2O]+ 235.10020 152.7
[M+HCOO]- 297.10114 178.9
[M+CH3COO]- 311.11679 198.4
[M+Na-2H]- 273.07761 160.1
[M]+ 252.10239 157.6
[M]- 252.10349 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.