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]+ 138.12773 131.2
[M+Na]+ 160.10967 141.6
[M+NH4]+ 155.15427 136.4
[M+K]+ 176.08361 133.8
[M-H]- 136.11317 124.4
[M+Na-2H]- 158.09512 133.0
[M]+ 137.11990 129.8
[M]- 137.12100 129.8
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

No patent data available for this compound.