CID 3063469

Butyraldehyde, 4-(p-aminophenoxy)-, diethyl acetal

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCC(CC)(COC1=CC=C(C=C1)N)C(C=O)(O)O
InChI
InChI=1S/C14H21NO4/c1-3-13(4-2,14(17,18)9-16)10-19-12-7-5-11(15)6-8-12/h5-9,17-18H,3-4,10,15H2,1-2H3
InChIKey
LWDBPNKSEBPGMU-UHFFFAOYSA-N
Compound name
3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.7
[M+Na]+ 290.13628 167.8
[M-H]- 266.13978 162.7
[M+NH4]+ 285.18088 177.2
[M+K]+ 306.11022 165.2
[M+H-H2O]+ 250.14432 156.9
[M+HCOO]- 312.14526 180.7
[M+CH3COO]- 326.16091 195.1
[M+Na-2H]- 288.12173 167.7
[M]+ 267.14651 163.2
[M]- 267.14761 163.2
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.