CID 3063345

100523-04-4

Structural Information

Molecular Formula
C13H21NO3
SMILES
C1=CC(=CC=C1N)OCCCCCOCCO
InChI
InChI=1S/C13H21NO3/c14-12-4-6-13(7-5-12)17-10-3-1-2-9-16-11-8-15/h4-7,15H,1-3,8-11,14H2
InChIKey
PMTXDYLTUFVCKY-UHFFFAOYSA-N
Compound name
2-[5-(4-aminophenoxy)pentoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.8
[M+Na]+ 262.14137 160.9
[M-H]- 238.14487 156.8
[M+NH4]+ 257.18597 172.2
[M+K]+ 278.11531 158.3
[M+H-H2O]+ 222.14941 148.8
[M+HCOO]- 284.15035 178.6
[M+CH3COO]- 298.16600 192.3
[M+Na-2H]- 260.12682 159.9
[M]+ 239.15160 158.2
[M]- 239.15270 158.2
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.