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]+ 180.174676 139.7
[M+Na]+ 202.156618 148.7
[M-H]- 178.160124 140.1
[M+NH4]+ 197.201223 160.0
[M+K]+ 218.130558 144.2
[M+H-H2O]+ 162.164660 127.9
[M+HCOO]- 224.165601 154.6
[M+CH3COO]- 238.181251 191.0
[M+Na-2H]- 200.142066 142.3
[M]+ 179.16685142 133.9
[M]- 179.16794858 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.