CID 140293771

3-ethynyl-3-methoxypyrrolidine hydrochloride

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]+ 126.09134 125.6
[M+Na]+ 148.07328 135.2
[M-H]- 124.07678 125.2
[M+NH4]+ 143.11788 146.8
[M+K]+ 164.04722 131.5
[M+H-H2O]+ 108.08132 114.4
[M+HCOO]- 170.08226 140.8
[M+CH3COO]- 184.09791 175.8
[M+Na-2H]- 146.05873 130.5
[M]+ 125.08351 117.4
[M]- 125.08461 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