CID 6433497

N-methylfarnesylamine

Structural Information

Molecular Formula
C16H29N
SMILES
CC(=CCC/C(=C/CC/C(=C/CNC)/C)/C)C
InChI
InChI=1S/C16H29N/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12,17H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChIKey
ZPEMKPFPWVTBPX-NCZFFCEISA-N
Compound name
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

235.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 166.2
[M+Na]+ 258.219218 168.9
[M-H]- 234.222724 165.1
[M+NH4]+ 253.263823 183.9
[M+K]+ 274.193158 165.6
[M+H-H2O]+ 218.227260 160.2
[M+HCOO]- 280.228201 185.4
[M+CH3COO]- 294.243851 200.0
[M+Na-2H]- 256.204666 164.4
[M]+ 235.22945142 166.1
[M]- 235.23054858 166.1
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

patents stripe