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
4
Annotation Hits

3
References

9751
Patents

233.1627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.169976 157.4
[M+Na]+ 256.151918 160.9
[M-H]- 232.155424 154.2
[M+NH4]+ 251.196523 173.6
[M+K]+ 272.125858 160.4
[M+H-H2O]+ 216.159960 152.2
[M+HCOO]- 278.160901 175.2
[M+CH3COO]- 292.176551 190.5
[M+Na-2H]- 254.137366 159.3
[M]+ 233.16215142 159.1
[M]- 233.16324858 159.1
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