CID 71587444

Panthenyl ethyl ether acetate

Structural Information

Molecular Formula
C13H25NO5
SMILES
CCOCCCNC(=O)[C@@H](C(C)(C)COC(=O)C)O
InChI
InChI=1S/C13H25NO5/c1-5-18-8-6-7-14-12(17)11(16)13(3,4)9-19-10(2)15/h11,16H,5-9H2,1-4H3,(H,14,17)/t11-/m0/s1
InChIKey
GMBVYJOWNGZGMU-NSHDSACASA-N
Compound name
[(3R)-4-(3-ethoxypropylamino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

275.17328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 165.8
[M+Na]+ 298.16250 170.4
[M+NH4]+ 293.20710 169.0
[M+K]+ 314.13644 168.9
[M-H]- 274.16600 161.3
[M+Na-2H]- 296.14795 164.5
[M]+ 275.17273 164.5
[M]- 275.17383 164.5
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