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]+ 268.154336 162.7
[M+Na]+ 290.136278 167.8
[M-H]- 266.139784 162.7
[M+NH4]+ 285.180883 177.2
[M+K]+ 306.110218 165.2
[M+H-H2O]+ 250.144320 156.9
[M+HCOO]- 312.145261 180.7
[M+CH3COO]- 326.160911 195.1
[M+Na-2H]- 288.121726 167.7
[M]+ 267.14651142 163.2
[M]- 267.14760858 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.