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]+ 112.11208 126.5
[M+Na]+ 134.09402 134.5
[M-H]- 110.09752 125.8
[M+NH4]+ 129.13862 146.4
[M+K]+ 150.06796 133.4
[M+H-H2O]+ 94.102060 116.0
[M+HCOO]- 156.10300 143.0
[M+CH3COO]- 170.11865 183.2
[M+Na-2H]- 132.07947 129.3
[M]+ 111.10425 119.4
[M]- 111.10535 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