CID 16767326

1-[3-(4-methoxyphenyl)-1h-pyrazol-4-yl]methanamine

Structural Information

Molecular Formula
C11H13N3O
SMILES
COC1=CC=C(C=C1)C2=C(C=NN2)CN
InChI
InChI=1S/C11H13N3O/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKey
IYARYCHVTBTRFD-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 143.8
[M+Na]+ 226.095088 152.2
[M-H]- 202.098594 146.6
[M+NH4]+ 221.139693 160.9
[M+K]+ 242.069028 148.1
[M+H-H2O]+ 186.103130 135.7
[M+HCOO]- 248.104071 166.5
[M+CH3COO]- 262.119721 184.2
[M+Na-2H]- 224.080536 148.5
[M]+ 203.10532142 142.3
[M]- 203.10641858 142.3
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.