CID 11094860

[(e)-2-nitroethenyl]cyclohexane

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CCC(CC1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H13NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKey
KCZCKIXXDUBFDC-VOTSOKGWSA-N
Compound name
[(E)-2-nitroethenyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

155.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.1
[M+Na]+ 178.08386 138.2
[M-H]- 154.08736 136.7
[M+NH4]+ 173.12846 154.0
[M+K]+ 194.05780 133.0
[M+H-H2O]+ 138.09190 133.2
[M+HCOO]- 200.09284 156.1
[M+CH3COO]- 214.10849 169.2
[M+Na-2H]- 176.06931 140.4
[M]+ 155.09409 127.6
[M]- 155.09519 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe