CID 21973

Brn 2809099

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)NCC(C1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C13H21NO3/c1-9(2)14-8-11(15)10-5-6-12(16-3)13(7-10)17-4/h5-7,9,11,14-15H,8H2,1-4H3
InChIKey
MVTHUHYTFNDNEO-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 156.4
[M+Na]+ 262.14137 162.0
[M-H]- 238.14487 158.6
[M+NH4]+ 257.18597 173.3
[M+K]+ 278.11531 160.8
[M+H-H2O]+ 222.14941 149.9
[M+HCOO]- 284.15035 177.8
[M+CH3COO]- 298.16600 195.9
[M+Na-2H]- 260.12682 158.3
[M]+ 239.15160 158.9
[M]- 239.15270 158.9
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

patents stripe