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

2112
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

literature stripe

Patent stripe

patents stripe