CID 6390621

40267-53-6

Structural Information

Molecular Formula
C14H27N
SMILES
CCN(CC)C/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+
InChIKey
XDEJHXKVKISANH-SDNWHVSQSA-N
Compound name
(2E)-N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

167
Patents

209.21436 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.221636 157.8
[M+Na]+ 232.203578 161.4
[M-H]- 208.207084 158.5
[M+NH4]+ 227.248183 177.3
[M+K]+ 248.177518 160.2
[M+H-H2O]+ 192.211620 151.9
[M+HCOO]- 254.212561 178.9
[M+CH3COO]- 268.228211 198.3
[M+Na-2H]- 230.189026 157.6
[M]+ 209.21381142 159.7
[M]- 209.21490858 159.7
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