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]+ 210.14887 148.1
[M+Na]+ 232.13081 153.7
[M-H]- 208.13431 149.9
[M+NH4]+ 227.17541 166.1
[M+K]+ 248.10475 151.1
[M+H-H2O]+ 192.13885 141.6
[M+HCOO]- 254.13979 171.6
[M+CH3COO]- 268.15544 187.8
[M+Na-2H]- 230.11626 153.8
[M]+ 209.14104 149.7
[M]- 209.14214 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.