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]+ 216.13428 146.7
[M+Na]+ 238.11622 148.7
[M-H]- 214.11972 150.3
[M+NH4]+ 233.16082 164.2
[M+K]+ 254.09016 149.7
[M+H-H2O]+ 198.12426 139.2
[M+HCOO]- 260.12520 170.4
[M+CH3COO]- 274.14085 194.9
[M+Na-2H]- 236.10167 150.9
[M]+ 215.12645 143.3
[M]- 215.12755 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.