CID 57775

100317-01-9

Structural Information

Molecular Formula
C12H18N2O2
SMILES
C1=CC(=CC=C1N)OCCCCCNC=O
InChI
InChI=1S/C12H18N2O2/c13-11-4-6-12(7-5-11)16-9-3-1-2-8-14-10-15/h4-7,10H,1-3,8-9,13H2,(H,14,15)
InChIKey
YQGTVTVHGQEELY-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 150.1
[M+Na]+ 245.126048 155.5
[M-H]- 221.129554 152.7
[M+NH4]+ 240.170653 167.5
[M+K]+ 261.099988 152.9
[M+H-H2O]+ 205.134090 142.8
[M+HCOO]- 267.135031 175.7
[M+CH3COO]- 281.150681 194.0
[M+Na-2H]- 243.111496 155.5
[M]+ 222.13628142 151.1
[M]- 222.13737858 151.1
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.