CID 86637464

956518-70-0

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

19
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.1
[M+Na]+ 160.07328 137.0
[M-H]- 136.07678 131.5
[M+NH4]+ 155.11788 149.4
[M+K]+ 176.04722 133.9
[M+H-H2O]+ 120.08132 117.3
[M+HCOO]- 182.08226 146.1
[M+CH3COO]- 196.09791 184.6
[M+Na-2H]- 158.05873 134.9
[M]+ 137.08351 120.1
[M]- 137.08461 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