CID 57474311

2c-ip

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)C1=C(C=C(C(=C1)OC)CCN)OC
InChI
InChI=1S/C13H21NO2/c1-9(2)11-8-12(15-3)10(5-6-14)7-13(11)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey
XUGPCRRUMVWELT-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-propan-2-ylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

223.15723 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe