CID 55285587

5-methylhex-1-yn-3-amine

Structural Information

Molecular Formula
C7H13N
SMILES
CC(C)CC(C#C)N
InChI
InChI=1S/C7H13N/c1-4-7(8)5-6(2)3/h1,6-7H,5,8H2,2-3H3
InChIKey
KMCJPSCNDXXAQJ-UHFFFAOYSA-N
Compound name
5-methylhex-1-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 126.5
[M+Na]+ 134.094018 134.5
[M-H]- 110.097524 125.8
[M+NH4]+ 129.138623 146.4
[M+K]+ 150.067958 133.4
[M+H-H2O]+ 94.102060 116.0
[M+HCOO]- 156.103001 143.0
[M+CH3COO]- 170.118651 183.2
[M+Na-2H]- 132.079466 129.3
[M]+ 111.10425142 119.4
[M]- 111.10534858 119.4
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