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

2
Patents

125.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.3
[M+Na]+ 148.073278 133.8
[M-H]- 124.076784 124.3
[M+NH4]+ 143.117883 144.5
[M+K]+ 164.047218 130.6
[M+H-H2O]+ 108.081320 113.2
[M+HCOO]- 170.082261 140.3
[M+CH3COO]- 184.097911 176.2
[M+Na-2H]- 146.058726 129.2
[M]+ 125.08351142 116.8
[M]- 125.08460858 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

patents stripe