CID 18705842

Hepta-1,6-diyn-4-amine hydrochloride

Structural Information

Molecular Formula
C7H9N
SMILES
C#CCC(CC#C)N
InChI
InChI=1S/C7H9N/c1-3-5-7(8)6-4-2/h1-2,7H,5-6,8H2
InChIKey
POLQVYHRUZUNIZ-UHFFFAOYSA-N
Compound name
hepta-1,6-diyn-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

107.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 138.3
[M+Na]+ 130.062718 147.4
[M-H]- 106.066224 139.0
[M+NH4]+ 125.107323 153.0
[M+K]+ 146.036658 145.0
[M+H-H2O]+ 90.070760 125.3
[M+HCOO]- 152.071701 148.0
[M+CH3COO]- 166.087351 202.3
[M+Na-2H]- 128.048166 139.9
[M]+ 107.07295142 128.8
[M]- 107.07404858 128.8
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

patents stripe