CID 75713

1-nitrocyclohexene

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CCC(=CC1)[N+](=O)[O-]
InChI
InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
DJBRXNRKYAWTBL-UHFFFAOYSA-N
Compound name
1-nitrocyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

319
Patents

127.06333 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.4
[M+Na]+ 150.052548 129.0
[M-H]- 126.056054 126.8
[M+NH4]+ 145.097153 144.5
[M+K]+ 166.026488 124.7
[M+H-H2O]+ 110.060590 122.9
[M+HCOO]- 172.061531 147.4
[M+CH3COO]- 186.077181 164.4
[M+Na-2H]- 148.037996 131.9
[M]+ 127.06278142 118.5
[M]- 127.06387858 118.5
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