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]+ 235.08440 150.2
[M+Na]+ 257.06634 154.4
[M-H]- 233.06984 155.3
[M+NH4]+ 252.11094 169.0
[M+K]+ 273.04028 154.1
[M+H-H2O]+ 217.07438 143.9
[M+HCOO]- 279.07532 170.0
[M+CH3COO]- 293.09097 196.0
[M+Na-2H]- 255.05179 154.1
[M]+ 234.07657 151.6
[M]- 234.07767 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.