CID 14919833

4,4-dimethylpent-1-yn-3-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 128.4
[M+Na]+ 134.09402 137.0
[M-H]- 110.09752 128.0
[M+NH4]+ 129.13862 148.6
[M+K]+ 150.06796 136.0
[M+H-H2O]+ 94.102060 118.5
[M+HCOO]- 156.10300 144.4
[M+CH3COO]- 170.11865 182.1
[M+Na-2H]- 132.07947 132.6
[M]+ 111.10425 121.3
[M]- 111.10535 121.3
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