CID 76376

1-octadecanaminium, n,n-bis(2-hydroxyethyl)-n-methyl-, chloride (1:1)

Structural Information

Molecular Formula
C23H50NO2
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C23H50NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26/h25-26H,3-23H2,1-2H3/q+1
InChIKey
PNCQLRYMHQOAOR-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1559
Patents

372.38416 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.39144 204.4
[M+Na]+ 395.37338 203.6
[M-H]- 371.37688 200.5
[M+NH4]+ 390.41798 217.5
[M+K]+ 411.34732 193.7
[M+H-H2O]+ 355.38142 199.9
[M+HCOO]- 417.38236 237.0
[M+CH3COO]- 431.39801 218.1
[M+Na-2H]- 393.35883 205.5
[M]+ 372.38361 210.1
[M]- 372.38471 210.1
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

patents stripe