CID 6482274

Schembl9973161

Structural Information

Molecular Formula
C19H36N2
SMILES
CCC1CCCCN1CCNC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H36N2/c1-5-19-11-6-7-15-21(19)16-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-20H,5-8,10-11,13-16H2,1-4H3/b18-12+
InChIKey
ZJNBDEJGLLSYMV-LDADJPATSA-N
Compound name
(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

292.28784 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 181.1
[M+Na]+ 315.27706 181.5
[M-H]- 291.28056 180.7
[M+NH4]+ 310.32166 194.9
[M+K]+ 331.25100 177.4
[M+H-H2O]+ 275.28510 172.9
[M+HCOO]- 337.28604 196.0
[M+CH3COO]- 351.30169 209.9
[M+Na-2H]- 313.26251 178.1
[M]+ 292.28729 177.6
[M]- 292.28839 177.6
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