CID 6445849

Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-

Structural Information

Molecular Formula
C19H34N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCNCC1)/C)/C)C
InChI
InChI=1S/C19H34N2/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-14-21-15-12-20-13-16-21/h7,9,11,20H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKey
LUESRGDNECYQIC-ZYCAGONGSA-N
Compound name
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.2722 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.27948 180.9
[M+Na]+ 313.26142 181.0
[M-H]- 289.26492 177.5
[M+NH4]+ 308.30602 192.7
[M+K]+ 329.23536 175.8
[M+H-H2O]+ 273.26946 172.4
[M+HCOO]- 335.27040 191.3
[M+CH3COO]- 349.28605 203.3
[M+Na-2H]- 311.24687 176.7
[M]+ 290.27165 175.1
[M]- 290.27275 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe