CID 294118

1-(2-chloroethyl)-3-(3,5-dimethylcyclohexyl)urea

Structural Information

Molecular Formula
C11H21ClN2O
SMILES
CC1CC(CC(C1)NC(=O)NCCCl)C
InChI
InChI=1S/C11H21ClN2O/c1-8-5-9(2)7-10(6-8)14-11(15)13-4-3-12/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKey
MJSGXGRBDSTGNJ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3,5-dimethylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13425 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.14153 155.9
[M+Na]+ 255.12347 160.4
[M-H]- 231.12697 158.5
[M+NH4]+ 250.16807 174.3
[M+K]+ 271.09741 157.0
[M+H-H2O]+ 215.13151 150.5
[M+HCOO]- 277.13245 172.3
[M+CH3COO]- 291.14810 195.1
[M+Na-2H]- 253.10892 157.3
[M]+ 232.13370 153.4
[M]- 232.13480 153.4
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.