CID 157211

Etilefrine pivalate

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCNCC(C1=CC(=CC=C1)OC(=O)C(C)(C)C)O
InChI
InChI=1S/C15H23NO3/c1-5-16-10-13(17)11-7-6-8-12(9-11)19-14(18)15(2,3)4/h6-9,13,16-17H,5,10H2,1-4H3
InChIKey
DRMHNJGOEAYOIZ-UHFFFAOYSA-N
Compound name
[3-[2-(ethylamino)-1-hydroxyethyl]phenyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

224
References

13
Patents

265.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.4
[M+Na]+ 288.15702 169.1
[M-H]- 264.16052 166.3
[M+NH4]+ 283.20162 180.2
[M+K]+ 304.13096 167.4
[M+H-H2O]+ 248.16506 158.2
[M+HCOO]- 310.16600 183.9
[M+CH3COO]- 324.18165 198.9
[M+Na-2H]- 286.14247 166.9
[M]+ 265.16725 166.0
[M]- 265.16835 166.0
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.