CID 110325

68444-16-6

Structural Information

Molecular Formula
C21H46NO3
SMILES
CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C21H46NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-21-14-15-22(2,16-18-23)17-19-24/h23-24H,3-21H2,1-2H3/q+1
InChIKey
JVYFNYHOTWROPA-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-(3-tridecoxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.34778 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.35506 198.4
[M+Na]+ 383.33700 198.4
[M-H]- 359.34050 194.8
[M+NH4]+ 378.38160 211.5
[M+K]+ 399.31094 189.5
[M+H-H2O]+ 343.34504 194.0
[M+HCOO]- 405.34598 231.1
[M+CH3COO]- 419.36163 214.0
[M+Na-2H]- 381.32245 200.7
[M]+ 360.34723 204.7
[M]- 360.34833 204.7
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.