CID 545140

Cyclohexyl nitrite

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CCC(CC1)ON=O
InChI
InChI=1S/C6H11NO2/c8-7-9-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
NRCNZCLHYWKEDX-UHFFFAOYSA-N
Compound name
cyclohexyl nitrite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

235
Patents

129.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 123.8
[M+Na]+ 152.068198 129.0
[M-H]- 128.071704 128.1
[M+NH4]+ 147.112803 145.8
[M+K]+ 168.042138 129.9
[M+H-H2O]+ 112.076240 117.9
[M+HCOO]- 174.077181 148.1
[M+CH3COO]- 188.092831 174.0
[M+Na-2H]- 150.053646 131.4
[M]+ 129.07843142 121.6
[M]- 129.07952858 121.6
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.