CID 149401

Brn 2980303

Structural Information

Molecular Formula
C9H17N3O3
SMILES
C1CCC(CC1)NC(=O)N(CCO)N=O
InChI
InChI=1S/C9H17N3O3/c13-7-6-12(11-15)9(14)10-8-4-2-1-3-5-8/h8,13H,1-7H2,(H,10,14)
InChIKey
MCYMIJKYTPATMD-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-(2-hydroxyethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.134276 146.7
[M+Na]+ 238.116218 148.7
[M-H]- 214.119724 150.3
[M+NH4]+ 233.160823 164.2
[M+K]+ 254.090158 149.7
[M+H-H2O]+ 198.124260 139.2
[M+HCOO]- 260.125201 170.4
[M+CH3COO]- 274.140851 194.9
[M+Na-2H]- 236.101666 150.9
[M]+ 215.12645142 143.3
[M]- 215.12754858 143.3
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.