CID 14415760

70776-67-9

Structural Information

Molecular Formula
C18H40NO4
SMILES
CCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O
InChI
InChI=1S/C18H40NO4/c1-3-4-5-6-7-8-9-10-15-23-17-18(22)16-19(2,11-13-20)12-14-21/h18,20-22H,3-17H2,1-2H3/q+1
InChIKey
UZWCPCMEUNBBNG-UHFFFAOYSA-N
Compound name
(3-decoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.29575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.30303 187.9
[M+Na]+ 357.28497 188.4
[M-H]- 333.28847 183.5
[M+NH4]+ 352.32957 199.9
[M+K]+ 373.25891 180.3
[M+H-H2O]+ 317.29301 184.2
[M+HCOO]- 379.29395 216.5
[M+CH3COO]- 393.30960 205.0
[M+Na-2H]- 355.27042 190.2
[M]+ 334.29520 191.9
[M]- 334.29630 191.9
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.