CID 98982

13908-14-0

Structural Information

Molecular Formula
C10H19ClN2O
SMILES
CC1CCCC(C1)NC(=O)NCCCl
InChI
InChI=1S/C10H19ClN2O/c1-8-3-2-4-9(7-8)13-10(14)12-6-5-11/h8-9H,2-7H2,1H3,(H2,12,13,14)
InChIKey
ZEXAHTHOEXBQHM-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3-methylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11859 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12587 151.4
[M+Na]+ 241.10781 155.4
[M-H]- 217.11131 153.7
[M+NH4]+ 236.15241 170.0
[M+K]+ 257.08175 152.1
[M+H-H2O]+ 201.11585 145.9
[M+HCOO]- 263.11679 168.1
[M+CH3COO]- 277.13244 190.8
[M+Na-2H]- 239.09326 154.0
[M]+ 218.11804 148.1
[M]- 218.11914 148.1
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.