CID 140293771

1809153-84-1

Structural Information

Molecular Formula
C7H11NO
SMILES
COC1(CCNC1)C#C
InChI
InChI=1S/C7H11NO/c1-3-7(9-2)4-5-8-6-7/h1,8H,4-6H2,2H3
InChIKey
DTAVTCTUSBGEPK-UHFFFAOYSA-N
Compound name
3-ethynyl-3-methoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.6
[M+Na]+ 148.073278 135.2
[M-H]- 124.076784 125.2
[M+NH4]+ 143.117883 146.8
[M+K]+ 164.047218 131.5
[M+H-H2O]+ 108.081320 114.4
[M+HCOO]- 170.082261 140.8
[M+CH3COO]- 184.097911 175.8
[M+Na-2H]- 146.058726 130.5
[M]+ 125.08351142 117.4
[M]- 125.08460858 117.4
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