CID 26191815

2445750-17-2

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CCO[C@@H]1CCNC1
InChI
InChI=1S/C7H11NO/c1-2-5-9-7-3-4-8-6-7/h1,7-8H,3-6H2/t7-/m1/s1
InChIKey
CPLOYTSCDNOFHC-SSDOTTSWSA-N
Compound name
(3R)-3-prop-2-ynoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.3
[M+Na]+ 148.07328 133.8
[M-H]- 124.07678 124.3
[M+NH4]+ 143.11788 144.5
[M+K]+ 164.04722 130.6
[M+H-H2O]+ 108.08132 113.2
[M+HCOO]- 170.08226 140.3
[M+CH3COO]- 184.09791 176.2
[M+Na-2H]- 146.05873 129.2
[M]+ 125.08351 116.8
[M]- 125.08461 116.8
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.