CID 157211

Etilefrine pivalate hydrochloride

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
2
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

literature stripe

Patent stripe

patents stripe