CID 98826

1-(2-chloroethyl)-3-(dicyclopropylmethyl)urea

Structural Information

Molecular Formula
C10H17ClN2O
SMILES
C1CC1C(C2CC2)NC(=O)NCCCl
InChI
InChI=1S/C10H17ClN2O/c11-5-6-12-10(14)13-9(7-1-2-7)8-3-4-8/h7-9H,1-6H2,(H2,12,13,14)
InChIKey
QIIOQYAACVZBNH-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(dicyclopropylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.10294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11022 148.0
[M+Na]+ 239.09216 153.3
[M-H]- 215.09566 154.4
[M+NH4]+ 234.13676 155.6
[M+K]+ 255.06610 149.8
[M+H-H2O]+ 199.10020 142.7
[M+HCOO]- 261.10114 165.1
[M+CH3COO]- 275.11679 202.0
[M+Na-2H]- 237.07761 150.4
[M]+ 216.10239 151.7
[M]- 216.10349 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe