CID 57356065

Ns00064508

Structural Information

Molecular Formula
C21H45N3
SMILES
CCCCCCCCCCCCCCCC1N(CCN1CCN)C
InChI
InChI=1S/C21H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22/h21H,3-20,22H2,1-2H3
InChIKey
PWODAEISJZCZOU-UHFFFAOYSA-N
Compound name
2-(3-methyl-2-pentadecylimidazolidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.36136 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.368636 195.1
[M+Na]+ 362.350578 196.1
[M-H]- 338.354084 192.7
[M+NH4]+ 357.395183 207.6
[M+K]+ 378.324518 191.3
[M+H-H2O]+ 322.358620 185.4
[M+HCOO]- 384.359561 211.1
[M+CH3COO]- 398.375211 220.0
[M+Na-2H]- 360.336026 190.5
[M]+ 339.36081142 197.2
[M]- 339.36190858 197.2
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

No patent data available for this compound.