CID 85573628

5-isocyanopent-1-ene

Structural Information

Molecular Formula
C6H9N
SMILES
C=CCCC[N+]#[C-]
InChI
InChI=1S/C6H9N/c1-3-4-5-6-7-2/h3H,1,4-6H2
InChIKey
UUGOCAIRQRWIKE-UHFFFAOYSA-N
Compound name
5-isocyanopent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

95.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 122.7
[M+Na]+ 118.062718 132.0
[M-H]- 94.066224 122.5
[M+NH4]+ 113.107323 143.3
[M+K]+ 134.036658 126.1
[M+H-H2O]+ 78.070760 116.9
[M+HCOO]- 140.071701 142.5
[M+CH3COO]- 154.087351 172.8
[M+Na-2H]- 116.048166 130.3
[M]+ 95.07295142 115.4
[M]- 95.07404858 115.4
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

No patent data available for this compound.