CID 61815145

3-{[(4-methoxybutyl)amino]methyl}phenol

Structural Information

Molecular Formula
C12H19NO2
SMILES
COCCCCNCC1=CC(=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-15-8-3-2-7-13-10-11-5-4-6-12(14)9-11/h4-6,9,13-14H,2-3,7-8,10H2,1H3
InChIKey
SHMVIWMYZJVPCR-UHFFFAOYSA-N
Compound name
3-[(4-methoxybutylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.1
[M+Na]+ 232.130808 153.7
[M-H]- 208.134314 149.9
[M+NH4]+ 227.175413 166.1
[M+K]+ 248.104748 151.1
[M+H-H2O]+ 192.138850 141.6
[M+HCOO]- 254.139791 171.6
[M+CH3COO]- 268.155441 187.8
[M+Na-2H]- 230.116256 153.8
[M]+ 209.14104142 149.7
[M]- 209.14213858 149.7
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.