CID 6366858

Brn 2370341

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]+ 274.25292 173.6
[M+Na]+ 296.23486 178.2
[M-H]- 272.23836 173.0
[M+NH4]+ 291.27946 188.4
[M+K]+ 312.20880 174.2
[M+H-H2O]+ 256.24290 161.2
[M+HCOO]- 318.24384 187.2
[M+CH3COO]- 332.25949 215.9
[M+Na-2H]- 294.22031 169.6
[M]+ 273.24509 169.8
[M]- 273.24619 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.