CID 246540

1,6-bis(pyrrolidino)-2-hexyne

Structural Information

Molecular Formula
C14H24N2
SMILES
C1CCN(C1)CCCC#CCN2CCCC2
InChI
InChI=1S/C14H24N2/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h1,3,5-14H2
InChIKey
RMIZJARWWRAPCN-UHFFFAOYSA-N
Compound name
1-(6-pyrrolidin-1-ylhex-2-ynyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.19395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 152.0
[M+Na]+ 243.18317 157.8
[M-H]- 219.18667 152.0
[M+NH4]+ 238.22777 168.3
[M+K]+ 259.15711 152.4
[M+H-H2O]+ 203.19121 136.7
[M+HCOO]- 265.19215 164.2
[M+CH3COO]- 279.20780 193.9
[M+Na-2H]- 241.16862 150.6
[M]+ 220.19340 142.2
[M]- 220.19450 142.2
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

patents stripe