CID 98637

61137-48-2

Structural Information

Molecular Formula
C10H18ClN3O3
SMILES
COC1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H18ClN3O3/c1-17-9-4-2-8(3-5-9)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)
InChIKey
OFRJHUDMLXBUDY-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(4-methoxycyclohexyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

263.10367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11095 158.4
[M+Na]+ 286.09289 162.2
[M-H]- 262.09639 163.6
[M+NH4]+ 281.13749 176.0
[M+K]+ 302.06683 161.8
[M+H-H2O]+ 246.10093 151.7
[M+HCOO]- 308.10187 178.9
[M+CH3COO]- 322.11752 205.3
[M+Na-2H]- 284.07834 161.4
[M]+ 263.10312 159.8
[M]- 263.10422 159.8
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

No patent data available for this compound.