CID 104090113

2-(pent-4-yn-1-yloxy)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C#CCCCOCCN
InChI
InChI=1S/C7H13NO/c1-2-3-4-6-9-7-5-8/h1H,3-8H2
InChIKey
SHPYEWMAMZWTOE-UHFFFAOYSA-N
Compound name
2-pent-4-ynoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.8
[M+Na]+ 150.08894 134.2
[M-H]- 126.09244 124.9
[M+NH4]+ 145.13354 145.2
[M+K]+ 166.06288 132.8
[M+H-H2O]+ 110.09698 115.0
[M+HCOO]- 172.09792 144.4
[M+CH3COO]- 186.11357 183.5
[M+Na-2H]- 148.07439 131.1
[M]+ 127.09917 121.2
[M]- 127.10027 121.2
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

No patent data available for this compound.