CID 16767326

1011404-52-6

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 144.8
[M+Na]+ 226.09509 157.0
[M+NH4]+ 221.13969 152.3
[M+K]+ 242.06903 152.7
[M-H]- 202.09859 147.5
[M+Na-2H]- 224.08054 152.2
[M]+ 203.10532 147.1
[M]- 203.10642 147.1
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.