CID 17972321

1-[(4-methoxyphenyl)methyl]-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C11H13N3O
SMILES
COC1=CC=C(C=C1)CN2C=CC(=N2)N
InChI
InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-7-6-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13)
InChIKey
RZXDPVYHYSEUIZ-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

203.10587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.4
[M+Na]+ 226.09509 152.2
[M-H]- 202.09859 147.6
[M+NH4]+ 221.13969 161.2
[M+K]+ 242.06903 149.0
[M+H-H2O]+ 186.10313 135.0
[M+HCOO]- 248.10407 167.6
[M+CH3COO]- 262.11972 186.7
[M+Na-2H]- 224.08054 148.6
[M]+ 203.10532 143.8
[M]- 203.10642 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

literature stripe

Patent stripe

patents stripe