CID 145869410

2-(but-3-yn-1-yl)-1-methylpyrrolidine

Structural Information

Molecular Formula
C9H15N
SMILES
CN1CCCC1CCC#C
InChI
InChI=1S/C9H15N/c1-3-4-6-9-7-5-8-10(9)2/h1,9H,4-8H2,2H3
InChIKey
IHIVJNMJUHAXMI-UHFFFAOYSA-N
Compound name
2-but-3-ynyl-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 128.5
[M+Na]+ 160.109668 137.5
[M-H]- 136.113174 128.9
[M+NH4]+ 155.154273 148.4
[M+K]+ 176.083608 134.2
[M+H-H2O]+ 120.117710 116.4
[M+HCOO]- 182.118651 144.2
[M+CH3COO]- 196.134301 183.3
[M+Na-2H]- 158.095116 131.4
[M]+ 137.11990142 121.4
[M]- 137.12099858 121.4
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

No patent data available for this compound.