CID 54590

80639-81-2

Structural Information

Molecular Formula
C9H15ClN2O3
SMILES
C1CCC(CC1)OC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H15ClN2O3/c10-6-7-12(11-14)9(13)15-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
HFVIUKSJYCGXRW-UHFFFAOYSA-N
Compound name
cyclohexyl N-(2-chloroethyl)-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.084396 150.2
[M+Na]+ 257.066338 154.4
[M-H]- 233.069844 155.3
[M+NH4]+ 252.110943 169.0
[M+K]+ 273.040278 154.1
[M+H-H2O]+ 217.074380 143.9
[M+HCOO]- 279.075321 170.0
[M+CH3COO]- 293.090971 196.0
[M+Na-2H]- 255.051786 154.1
[M]+ 234.07657142 151.6
[M]- 234.07766858 151.6
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.