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]+ 108.08078 142.4
[M+Na]+ 130.06272 151.8
[M-H]- 106.06622 143.3
[M+NH4]+ 125.10732 157.2
[M+K]+ 146.03666 149.6
[M+H-H2O]+ 90.070760 129.8
[M+HCOO]- 152.07170 151.7
[M+CH3COO]- 166.08735 201.5
[M+Na-2H]- 128.04817 144.8
[M]+ 107.07295 132.8
[M]- 107.07405 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.