CID 53409410

3-[(prop-2-yn-1-yloxy)methyl]pyrrolidine

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CCOCC1CCNC1
InChI
InChI=1S/C8H13NO/c1-2-5-10-7-8-3-4-9-6-8/h1,8-9H,3-7H2
InChIKey
HWXGULUGUISDTL-UHFFFAOYSA-N
Compound name
3-(prop-2-ynoxymethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.2
[M+Na]+ 162.088938 137.3
[M-H]- 138.092444 128.1
[M+NH4]+ 157.133543 147.9
[M+K]+ 178.062878 133.9
[M+H-H2O]+ 122.096980 116.9
[M+HCOO]- 184.097921 143.9
[M+CH3COO]- 198.113571 178.9
[M+Na-2H]- 160.074386 132.6
[M]+ 139.09917142 121.0
[M]- 139.10026858 121.0
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.