CID 6437634

N-methyldioleylamine

Structural Information

Molecular Formula
C37H73N
SMILES
CCCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC)C
InChI
InChI=1S/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3/b20-18+,21-19+
InChIKey
KZWFMOHCIQNTCU-FRCMOREXSA-N
Compound name
(E)-N-methyl-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

577
Patents

531.5743 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.58158 263.8
[M+Na]+ 554.56352 272.5
[M-H]- 530.56702 245.7
[M+NH4]+ 549.60812 262.2
[M+K]+ 570.53746 272.8
[M+H-H2O]+ 514.57156 262.8
[M+HCOO]- 576.57250 270.6
[M+CH3COO]- 590.58815 264.3
[M+Na-2H]- 552.54897 247.8
[M]+ 531.57375 263.2
[M]- 531.57485 263.2
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