CID 583255

1-ethynylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C9H11N
SMILES
C#CC1(CCCCC1)C#N
InChI
InChI=1S/C9H11N/c1-2-9(8-10)6-4-3-5-7-9/h1H,3-7H2
InChIKey
RJKHNDIOAQTVLX-UHFFFAOYSA-N
Compound name
1-ethynylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.08914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 142.0
[M+Na]+ 156.078358 151.9
[M-H]- 132.081864 145.4
[M+NH4]+ 151.122963 157.8
[M+K]+ 172.052298 146.4
[M+H-H2O]+ 116.086400 128.9
[M+HCOO]- 178.087341 151.7
[M+CH3COO]- 192.102991 205.1
[M+Na-2H]- 154.063806 145.3
[M]+ 133.08859142 131.2
[M]- 133.08968858 131.2
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.