CID 65589399

1-(oxolan-3-yl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CC(C1CCOC1)N
InChI
InChI=1S/C7H11NO/c1-2-7(8)6-3-4-9-5-6/h1,6-7H,3-5,8H2
InChIKey
SUUCMNLDMJTMRS-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 127.0
[M+Na]+ 148.073278 135.0
[M-H]- 124.076784 128.7
[M+NH4]+ 143.117883 146.3
[M+K]+ 164.047218 133.3
[M+H-H2O]+ 108.081320 115.4
[M+HCOO]- 170.082261 143.1
[M+CH3COO]- 184.097911 180.5
[M+Na-2H]- 146.058726 130.4
[M]+ 125.08351142 118.0
[M]- 125.08460858 118.0
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.