CID 294118

102433-42-1

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]+ 233.141526 155.9
[M+Na]+ 255.123468 160.4
[M-H]- 231.126974 158.5
[M+NH4]+ 250.168073 174.3
[M+K]+ 271.097408 157.0
[M+H-H2O]+ 215.131510 150.5
[M+HCOO]- 277.132451 172.3
[M+CH3COO]- 291.148101 195.1
[M+Na-2H]- 253.108916 157.3
[M]+ 232.13370142 153.4
[M]- 232.13479858 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.