CID 16078823

4-[(cyclopropylamino)methyl]-2-methoxyphenol hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC1=C(C=CC(=C1)CNC2CC2)O
InChI
InChI=1S/C11H15NO2/c1-14-11-6-8(2-5-10(11)13)7-12-9-3-4-9/h2,5-6,9,12-13H,3-4,7H2,1H3
InChIKey
UTUZHFORZIYQQF-UHFFFAOYSA-N
Compound name
4-[(cyclopropylamino)methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 138.2
[M+Na]+ 216.099498 147.2
[M-H]- 192.103004 144.8
[M+NH4]+ 211.144103 152.4
[M+K]+ 232.073438 143.7
[M+H-H2O]+ 176.107540 131.8
[M+HCOO]- 238.108481 162.6
[M+CH3COO]- 252.124131 187.6
[M+Na-2H]- 214.084946 144.6
[M]+ 193.10973142 141.1
[M]- 193.11082858 141.1
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

No patent data available for this compound.