CID 167726146

1-[3-methoxy-2-(1h-pyrazol-1-yl)phenyl]methanamine dihydrochloride

Structural Information

Molecular Formula
C11H13N3O
SMILES
COC1=CC=CC(=C1N2C=CC=N2)CN
InChI
InChI=1S/C11H13N3O/c1-15-10-5-2-4-9(8-12)11(10)14-7-3-6-13-14/h2-7H,8,12H2,1H3
InChIKey
NIRADHHOHKVOJK-UHFFFAOYSA-N
Compound name
(3-methoxy-2-pyrazol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.4
[M+Na]+ 226.095088 152.2
[M-H]- 202.098594 147.6
[M+NH4]+ 221.139693 161.2
[M+K]+ 242.069028 149.0
[M+H-H2O]+ 186.103130 135.0
[M+HCOO]- 248.104071 167.6
[M+CH3COO]- 262.119721 186.7
[M+Na-2H]- 224.080536 148.6
[M]+ 203.10532142 143.8
[M]- 203.10641858 143.8
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

No patent data available for this compound.