CID 60568

112767-80-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CCC(CO)NCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H21NO3/c1-4-11(9-15)14-8-10-5-6-12(16-2)13(7-10)17-3/h5-7,11,14-15H,4,8-9H2,1-3H3
InChIKey
LRUXWUGFLRLGCD-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 156.0
[M+Na]+ 262.141368 161.8
[M-H]- 238.144874 158.1
[M+NH4]+ 257.185973 173.0
[M+K]+ 278.115308 160.1
[M+H-H2O]+ 222.149410 149.4
[M+HCOO]- 284.150351 178.4
[M+CH3COO]- 298.166001 195.0
[M+Na-2H]- 260.126816 159.2
[M]+ 239.15160142 159.2
[M]- 239.15269858 159.2
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.