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]+ 204.11315 143.8
[M+Na]+ 226.09509 152.2
[M-H]- 202.09859 146.6
[M+NH4]+ 221.13969 160.9
[M+K]+ 242.06903 148.1
[M+H-H2O]+ 186.10313 135.7
[M+HCOO]- 248.10407 166.5
[M+CH3COO]- 262.11972 184.2
[M+Na-2H]- 224.08054 148.5
[M]+ 203.10532 142.3
[M]- 203.10642 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.