CID 16205919

Ns00062426

Structural Information

Molecular Formula
C21H45N
SMILES
CCCCC(CC)CC(CCCC)(CC(CC)CCCC)N
InChI
InChI=1S/C21H45N/c1-6-11-14-19(9-4)17-21(22,16-13-8-3)18-20(10-5)15-12-7-2/h19-20H,6-18,22H2,1-5H3
InChIKey
RQDRISKJHWGFNX-UHFFFAOYSA-N
Compound name
7-butyl-5,9-diethyltridecan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.3552 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.362476 192.3
[M+Na]+ 334.344418 192.5
[M-H]- 310.347924 189.7
[M+NH4]+ 329.389023 206.9
[M+K]+ 350.318358 189.3
[M+H-H2O]+ 294.352460 185.6
[M+HCOO]- 356.353401 208.0
[M+CH3COO]- 370.369051 218.6
[M+Na-2H]- 332.329866 188.7
[M]+ 311.35465142 195.7
[M]- 311.35574858 195.7
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.