CID 79129

Cyclohexyl isocyanide

Structural Information

Molecular Formula
C7H11N
SMILES
[C-]#[N+]C1CCCCC1
InChI
InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
InChIKey
XYZMOVWWVXBHDP-UHFFFAOYSA-N
Compound name
isocyanocyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

2054
Patents

109.08915 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 126.4
[M+Na]+ 132.07837 133.9
[M-H]- 108.08187 128.1
[M+NH4]+ 127.12297 146.1
[M+K]+ 148.05231 126.7
[M+H-H2O]+ 92.086410 119.8
[M+HCOO]- 154.08735 143.4
[M+CH3COO]- 168.10300 172.9
[M+Na-2H]- 130.06382 133.1
[M]+ 109.08860 113.9
[M]- 109.08970 113.9
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.