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

233
Patents

129.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 123.8
[M+Na]+ 152.06820 129.0
[M-H]- 128.07170 128.1
[M+NH4]+ 147.11280 145.8
[M+K]+ 168.04214 129.9
[M+H-H2O]+ 112.07624 117.9
[M+HCOO]- 174.07718 148.1
[M+CH3COO]- 188.09283 174.0
[M+Na-2H]- 150.05365 131.4
[M]+ 129.07843 121.6
[M]- 129.07953 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.