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
3
Annotation Hits

0
References

1550
Patents

372.38416 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.391436 204.4
[M+Na]+ 395.373378 203.6
[M-H]- 371.376884 200.5
[M+NH4]+ 390.417983 217.5
[M+K]+ 411.347318 193.7
[M+H-H2O]+ 355.381420 199.9
[M+HCOO]- 417.382361 237.0
[M+CH3COO]- 431.398011 218.1
[M+Na-2H]- 393.358826 205.5
[M]+ 372.38361142 210.1
[M]- 372.38470858 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