CID 94184

Panthenyl ethyl ether

Structural Information

Molecular Formula
C11H23NO4
SMILES
CCOCCCNC(=O)[C@@H](C(C)(C)CO)O
InChI
InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKey
MRAMPOPITCOOIN-VIFPVBQESA-N
Compound name
(2R)-N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9142
Patents

233.1627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16998 155.9
[M+Na]+ 256.15192 161.2
[M+NH4]+ 251.19652 160.1
[M+K]+ 272.12586 159.1
[M-H]- 232.15542 152.0
[M+Na-2H]- 254.13737 155.4
[M]+ 233.16215 155.0
[M]- 233.16325 155.0
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