CID 6366858

2,6,10-dodecatrien-1-amine, n,3,7,11-tetramethyl-n-2-propynyl-, (e,e)-

Structural Information

Molecular Formula
C19H31N
SMILES
CC(=CCC/C(=C/CC/C(=C/CN(C)CC#C)/C)/C)C
InChI
InChI=1S/C19H31N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h1,10,12,14H,8-9,11,13,15-16H2,2-6H3/b18-12+,19-14+
InChIKey
LGXNHBTVFPAZSF-IJNKXORISA-N
Compound name
(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.24564 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.252916 173.6
[M+Na]+ 296.234858 178.2
[M-H]- 272.238364 173.0
[M+NH4]+ 291.279463 188.4
[M+K]+ 312.208798 174.2
[M+H-H2O]+ 256.242900 161.2
[M+HCOO]- 318.243841 187.2
[M+CH3COO]- 332.259491 215.9
[M+Na-2H]- 294.220306 169.6
[M]+ 273.24509142 169.8
[M]- 273.24618858 169.8
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.