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]+ 118.06272 132.0
[M-H]- 94.066224 122.5
[M+NH4]+ 113.10732 143.3
[M+K]+ 134.03666 126.1
[M+H-H2O]+ 78.070760 116.9
[M+HCOO]- 140.07170 142.5
[M+CH3COO]- 154.08735 172.8
[M+Na-2H]- 116.04817 130.3
[M]+ 95.072951 115.4
[M]- 95.074049 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.