CID 4724212

(prop-2-yn-1-yl)(propyl)amine hydrochloride

Structural Information

Molecular Formula
C6H11N
SMILES
CCCNCC#C
InChI
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3
InChIKey
MDMPAKJUMKBYNQ-UHFFFAOYSA-N
Compound name
N-prop-2-ynylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

97.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 118.9
[M+Na]+ 120.078368 127.7
[M-H]- 96.081874 118.7
[M+NH4]+ 115.122973 139.6
[M+K]+ 136.052308 126.4
[M+H-H2O]+ 80.086410 108.5
[M+HCOO]- 142.087351 138.0
[M+CH3COO]- 156.103001 179.7
[M+Na-2H]- 118.063816 125.7
[M]+ 97.08860142 113.6
[M]- 97.08969858 113.6
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