CID 3037161

Dimoxamine

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC[C@H](CC1=C(C=C(C(=C1)OC)C)OC)N
InChI
InChI=1S/C13H21NO2/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4/h6,8,11H,5,7,14H2,1-4H3/t11-/m1/s1
InChIKey
MLYCFWZIAJAIGW-LLVKDONJSA-N
Compound name
(2R)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

385
Patents

223.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.8
[M+Na]+ 246.146448 160.1
[M-H]- 222.149954 156.2
[M+NH4]+ 241.191053 171.3
[M+K]+ 262.120388 158.4
[M+H-H2O]+ 206.154490 146.5
[M+HCOO]- 268.155431 175.8
[M+CH3COO]- 282.171081 196.0
[M+Na-2H]- 244.131896 154.7
[M]+ 223.15668142 155.8
[M]- 223.15777858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe