CID 2734784

Cyclopentyl isocyanide

Structural Information

Molecular Formula
C6H9N
SMILES
[C-]#[N+]C1CCCC1
InChI
InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h6H,2-5H2
InChIKey
XTLSDEJNOQVCHL-UHFFFAOYSA-N
Compound name
isocyanocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

95.0735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 124.6
[M+Na]+ 118.062718 133.3
[M-H]- 94.066224 126.4
[M+NH4]+ 113.107323 146.3
[M+K]+ 134.036658 126.3
[M+H-H2O]+ 78.070760 117.8
[M+HCOO]- 140.071701 143.6
[M+CH3COO]- 154.087351 170.1
[M+Na-2H]- 116.048166 130.6
[M]+ 95.07295142 113.5
[M]- 95.07404858 113.5
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