CID 12296358

2503204-42-8

Structural Information

Molecular Formula
C7H9N
SMILES
CC(C)(C#CC#C)N
InChI
InChI=1S/C7H9N/c1-4-5-6-7(2,3)8/h1H,8H2,2-3H3
InChIKey
BCXIKZGRPNXNIB-UHFFFAOYSA-N
Compound name
2-methylhexa-3,5-diyn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

107.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 142.4
[M+Na]+ 130.062718 151.8
[M-H]- 106.066224 143.3
[M+NH4]+ 125.107323 157.2
[M+K]+ 146.036658 149.6
[M+H-H2O]+ 90.070760 129.8
[M+HCOO]- 152.071701 151.7
[M+CH3COO]- 166.087351 201.5
[M+Na-2H]- 128.048166 144.8
[M]+ 107.07295142 132.8
[M]- 107.07404858 132.8
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.