CID 15254994

Dimethyl(pent-4-yn-1-yl)amine hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
CN(C)CCCC#C
InChI
InChI=1S/C7H13N/c1-4-5-6-7-8(2)3/h1H,5-7H2,2-3H3
InChIKey
IXRYRPFJSYUEDD-UHFFFAOYSA-N
Compound name
N,N-dimethylpent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 122.6
[M+Na]+ 134.094018 131.2
[M-H]- 110.097524 123.6
[M+NH4]+ 129.138623 143.5
[M+K]+ 150.067958 130.8
[M+H-H2O]+ 94.102060 111.8
[M+HCOO]- 156.103001 141.9
[M+CH3COO]- 170.118651 185.6
[M+Na-2H]- 132.079466 128.2
[M]+ 111.10425142 118.8
[M]- 111.10534858 118.8
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

patents stripe