CID 96200

1-[6-(diethylamino)-2-hexynyl]pyrrolidine

Structural Information

Molecular Formula
C14H26N2
SMILES
CCN(CC)CCCC#CCN1CCCC1
InChI
InChI=1S/C14H26N2/c1-3-15(4-2)11-7-5-6-8-12-16-13-9-10-14-16/h3-5,7,9-14H2,1-2H3
InChIKey
QOCRDZQDEHRKSS-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-pyrrolidin-1-ylhex-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.2096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.216876 153.9
[M+Na]+ 245.198818 159.5
[M-H]- 221.202324 154.3
[M+NH4]+ 240.243423 170.7
[M+K]+ 261.172758 156.2
[M+H-H2O]+ 205.206860 139.9
[M+HCOO]- 267.207801 169.3
[M+CH3COO]- 281.223451 202.0
[M+Na-2H]- 243.184266 154.4
[M]+ 222.20905142 148.3
[M]- 222.21014858 148.3
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.