CID 111596

2-(2-hydroxyethylamino)ethyl benzoate

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1=CC=C(C=C1)C(=O)OCCNCCO
InChI
InChI=1S/C11H15NO3/c13-8-6-12-7-9-15-11(14)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey
ZXPOMKQZFRIFHY-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.3
[M+Na]+ 232.094418 151.4
[M-H]- 208.097924 148.0
[M+NH4]+ 227.139023 163.8
[M+K]+ 248.068358 149.5
[M+H-H2O]+ 192.102460 139.6
[M+HCOO]- 254.103401 169.6
[M+CH3COO]- 268.119051 185.0
[M+Na-2H]- 230.079866 151.9
[M]+ 209.10465142 147.1
[M]- 209.10574858 147.1
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