CID 53893251

2309462-10-8

Structural Information

Molecular Formula
C7H11N
SMILES
CN1CCCC1C#C
InChI
InChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h1,7H,4-6H2,2H3
InChIKey
HRYWNBGSIQAWKD-UHFFFAOYSA-N
Compound name
2-ethynyl-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

109.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 120.5
[M+Na]+ 132.07837 130.3
[M-H]- 108.08187 121.2
[M+NH4]+ 127.12297 141.4
[M+K]+ 148.05231 127.5
[M+H-H2O]+ 92.086410 108.7
[M+HCOO]- 154.08735 136.8
[M+CH3COO]- 168.10300 177.9
[M+Na-2H]- 130.06382 124.4
[M]+ 109.08860 112.8
[M]- 109.08970 112.8
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