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]+ 240.15943 156.0
[M+Na]+ 262.14137 161.8
[M-H]- 238.14487 158.1
[M+NH4]+ 257.18597 173.0
[M+K]+ 278.11531 160.1
[M+H-H2O]+ 222.14941 149.4
[M+HCOO]- 284.15035 178.4
[M+CH3COO]- 298.16600 195.0
[M+Na-2H]- 260.12682 159.2
[M]+ 239.15160 159.2
[M]- 239.15270 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.