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
3
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]+ 312.362476 191.6
[M+Na]+ 334.344418 191.5
[M-H]- 310.347924 189.0
[M+NH4]+ 329.389023 206.3
[M+K]+ 350.318358 187.7
[M+H-H2O]+ 294.352460 184.0
[M+HCOO]- 356.353401 210.4
[M+CH3COO]- 370.369051 218.1
[M+Na-2H]- 332.329866 189.5
[M]+ 311.35465142 197.1
[M]- 311.35574858 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

literature stripe

Patent stripe

patents stripe