CID 3032554

Trolamine salicylate monoester

Structural Information

Molecular Formula
C13H19NO5
SMILES
C1=CC=C(C(=C1)C(=O)OCCN(CCO)CCO)O
InChI
InChI=1S/C13H19NO5/c15-8-5-14(6-9-16)7-10-19-13(18)11-3-1-2-4-12(11)17/h1-4,15-17H,5-10H2
InChIKey
NAFDCRMGWKHMJQ-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

269.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 161.1
[M+Na]+ 292.11552 165.3
[M-H]- 268.11902 161.4
[M+NH4]+ 287.16012 175.5
[M+K]+ 308.08946 163.9
[M+H-H2O]+ 252.12356 154.0
[M+HCOO]- 314.12450 181.6
[M+CH3COO]- 328.14015 195.0
[M+Na-2H]- 290.10097 163.4
[M]+ 269.12575 163.4
[M]- 269.12685 163.4
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