CID 86637464

1-formylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CCC(CC1)(C=O)C#N
InChI
InChI=1S/C8H11NO/c9-6-8(7-10)4-2-1-3-5-8/h7H,1-5H2
InChIKey
GYXCMWSDMPLRKM-UHFFFAOYSA-N
Compound name
1-formylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 128.1
[M+Na]+ 160.073278 137.0
[M-H]- 136.076784 131.5
[M+NH4]+ 155.117883 149.4
[M+K]+ 176.047218 133.9
[M+H-H2O]+ 120.081320 117.3
[M+HCOO]- 182.082261 146.1
[M+CH3COO]- 196.097911 184.6
[M+Na-2H]- 158.058726 134.9
[M]+ 137.08351142 120.1
[M]- 137.08460858 120.1
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

patents stripe