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]+ 166.15903 134.6
[M+Na]+ 188.14097 144.8
[M-H]- 164.14447 135.6
[M+NH4]+ 183.18557 155.7
[M+K]+ 204.11491 140.6
[M+H-H2O]+ 148.14901 123.5
[M+HCOO]- 210.14995 149.9
[M+CH3COO]- 224.16560 189.3
[M+Na-2H]- 186.12642 137.2
[M]+ 165.15120 128.9
[M]- 165.15230 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.