CID 16641701

(1-(3,4-dimethoxyphenyl)cyclopropyl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=C(C=C(C=C1)C2(CC2)CN)OC
InChI
InChI=1S/C12H17NO2/c1-14-10-4-3-9(7-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKey
HOXPTBMBXRLTTR-UHFFFAOYSA-N
Compound name
[1-(3,4-dimethoxyphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 144.2
[M+Na]+ 230.115148 153.9
[M-H]- 206.118654 151.8
[M+NH4]+ 225.159753 160.2
[M+K]+ 246.089088 151.7
[M+H-H2O]+ 190.123190 138.5
[M+HCOO]- 252.124131 168.7
[M+CH3COO]- 266.139781 191.8
[M+Na-2H]- 228.100596 150.4
[M]+ 207.12538142 148.7
[M]- 207.12647858 148.7
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