CID 203112

1-(2-chloroethyl)-3-cyclododecylurea

Structural Information

Molecular Formula
C15H29ClN2O
SMILES
C1CCCCCC(CCCCC1)NC(=O)NCCCl
InChI
InChI=1S/C15H29ClN2O/c16-12-13-17-15(19)18-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H2,17,18,19)
InChIKey
DJWXJGZHOSQZBT-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-cyclododecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.19684 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20412 171.5
[M+Na]+ 311.18606 171.3
[M-H]- 287.18956 170.5
[M+NH4]+ 306.23066 184.0
[M+K]+ 327.16000 168.3
[M+H-H2O]+ 271.19410 168.0
[M+HCOO]- 333.19504 183.9
[M+CH3COO]- 347.21069 196.9
[M+Na-2H]- 309.17151 170.9
[M]+ 288.19629 161.5
[M]- 288.19739 161.5
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.