CID 177798209

3-ethynyl-3-(methoxymethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
COCC1(CCNC1)C#C
InChI
InChI=1S/C8H13NO/c1-3-8(7-10-2)4-5-9-6-8/h1,9H,4-7H2,2H3
InChIKey
TZVDKWNAHHWNES-UHFFFAOYSA-N
Compound name
3-ethynyl-3-(methoxymethyl)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]+ 140.106996 129.4
[M+Na]+ 162.088938 138.7
[M-H]- 138.092444 128.9
[M+NH4]+ 157.133543 150.1
[M+K]+ 178.062878 134.7
[M+H-H2O]+ 122.096980 118.1
[M+HCOO]- 184.097921 144.3
[M+CH3COO]- 198.113571 178.5
[M+Na-2H]- 160.074386 133.9
[M]+ 139.09917142 121.6
[M]- 139.10026858 121.6
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.