CID 80190535

1-(but-3-yn-1-yl)-3,3-diethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H21N
SMILES
CCC1(CCN(C1)CCC#C)CC
InChI
InChI=1S/C12H21N/c1-4-7-9-13-10-8-12(5-2,6-3)11-13/h1H,5-11H2,2-3H3
InChIKey
NTLRRISUPSTBCM-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3-diethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 139.7
[M+Na]+ 202.15662 148.7
[M-H]- 178.16012 140.1
[M+NH4]+ 197.20122 160.0
[M+K]+ 218.13056 144.2
[M+H-H2O]+ 162.16466 127.9
[M+HCOO]- 224.16560 154.6
[M+CH3COO]- 238.18125 191.0
[M+Na-2H]- 200.14207 142.3
[M]+ 179.16685 133.9
[M]- 179.16795 133.9
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.