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]+ 223.21688 153.9
[M+Na]+ 245.19882 159.5
[M-H]- 221.20232 154.3
[M+NH4]+ 240.24342 170.7
[M+K]+ 261.17276 156.2
[M+H-H2O]+ 205.20686 139.9
[M+HCOO]- 267.20780 169.3
[M+CH3COO]- 281.22345 202.0
[M+Na-2H]- 243.18427 154.4
[M]+ 222.20905 148.3
[M]- 222.21015 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.