CID 145913506

1-(but-3-yn-1-yl)-2,4,4-trimethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H19N
SMILES
CC1CC(CN1CCC#C)(C)C
InChI
InChI=1S/C11H19N/c1-5-6-7-12-9-11(3,4)8-10(12)2/h1,10H,6-9H2,2-4H3
InChIKey
UTMKEABQMWDWOU-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-2,4,4-trimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 134.6
[M+Na]+ 188.140968 144.8
[M-H]- 164.144474 135.6
[M+NH4]+ 183.185573 155.7
[M+K]+ 204.114908 140.6
[M+H-H2O]+ 148.149010 123.5
[M+HCOO]- 210.149951 149.9
[M+CH3COO]- 224.165601 189.3
[M+Na-2H]- 186.126416 137.2
[M]+ 165.15120142 128.9
[M]- 165.15229858 128.9
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.