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]+ 140.10700 129.2
[M+Na]+ 162.08894 137.3
[M-H]- 138.09244 128.1
[M+NH4]+ 157.13354 147.9
[M+K]+ 178.06288 133.9
[M+H-H2O]+ 122.09698 116.9
[M+HCOO]- 184.09792 143.9
[M+CH3COO]- 198.11357 178.9
[M+Na-2H]- 160.07439 132.6
[M]+ 139.09917 121.0
[M]- 139.10027 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.