CID 14836

Hercules 7175

Structural Information

Molecular Formula
C10H17ClN2O
SMILES
CN(C)C(=O)NC1CC2CC1CC2Cl
InChI
InChI=1S/C10H17ClN2O/c1-13(2)10(14)12-9-5-6-3-7(9)4-8(6)11/h6-9H,3-5H2,1-2H3,(H,12,14)
InChIKey
WRRCZYDOIRAQEN-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-bicyclo[2.2.1]heptanyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

216.10294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.110216 153.2
[M+Na]+ 239.092158 159.6
[M-H]- 215.095664 157.2
[M+NH4]+ 234.136763 177.9
[M+K]+ 255.066098 157.2
[M+H-H2O]+ 199.100200 148.9
[M+HCOO]- 261.101141 171.3
[M+CH3COO]- 275.116791 194.4
[M+Na-2H]- 237.077606 153.9
[M]+ 216.10239142 153.5
[M]- 216.10348858 153.5
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.