CID 3041184

Cyclopropanamine, 2-(2,4,5-trimethoxyphenyl)-, hydrochloride, trans-

Structural Information

Molecular Formula
C12H17NO3
SMILES
COC1=CC(=C(C=C1[C@@H]2C[C@H]2N)OC)OC
InChI
InChI=1S/C12H17NO3/c1-14-10-6-12(16-3)11(15-2)5-8(10)7-4-9(7)13/h5-7,9H,4,13H2,1-3H3/t7-,9+/m0/s1
InChIKey
WRUZWMMBYLENFM-IONNQARKSA-N
Compound name
(1R,2S)-2-(2,4,5-trimethoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 146.8
[M+Na]+ 246.11007 157.5
[M-H]- 222.11357 154.8
[M+NH4]+ 241.15467 160.8
[M+K]+ 262.08401 154.5
[M+H-H2O]+ 206.11811 140.3
[M+HCOO]- 268.11905 171.7
[M+CH3COO]- 282.13470 196.6
[M+Na-2H]- 244.09552 150.6
[M]+ 223.12030 153.1
[M]- 223.12140 153.1
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.