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

10
Patents

235.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 166.2
[M+Na]+ 258.21922 168.9
[M-H]- 234.22272 165.1
[M+NH4]+ 253.26382 183.9
[M+K]+ 274.19316 165.6
[M+H-H2O]+ 218.22726 160.2
[M+HCOO]- 280.22820 185.4
[M+CH3COO]- 294.24385 200.0
[M+Na-2H]- 256.20467 164.4
[M]+ 235.22945 166.1
[M]- 235.23055 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