CID 25883

1-octadecanamine, n-(1-methylethyl)-

Structural Information

Molecular Formula
C21H45N
SMILES
CCCCCCCCCCCCCCCCCCNC(C)C
InChI
InChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21-22H,4-20H2,1-3H3
InChIKey
WHFZOMWNDCWQRF-UHFFFAOYSA-N
Compound name
N-propan-2-yloctadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

311.3552 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.36248 191.6
[M+Na]+ 334.34442 191.5
[M-H]- 310.34792 189.0
[M+NH4]+ 329.38902 206.3
[M+K]+ 350.31836 187.7
[M+H-H2O]+ 294.35246 184.0
[M+HCOO]- 356.35340 210.4
[M+CH3COO]- 370.36905 218.1
[M+Na-2H]- 332.32987 189.5
[M]+ 311.35465 197.1
[M]- 311.35575 197.1
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

No patent data available for this compound.