CID 16653083

895010-44-3

Structural Information

Molecular Formula
C11H12ClN3O
SMILES
COCC1=C(C(=NN1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN3O/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKey
RUOLMSGFFDAALU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0669 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 151.1
[M+Na]+ 260.05612 161.1
[M-H]- 236.05962 154.0
[M+NH4]+ 255.10072 168.0
[M+K]+ 276.03006 155.2
[M+H-H2O]+ 220.06416 143.7
[M+HCOO]- 282.06510 169.1
[M+CH3COO]- 296.08075 189.2
[M+Na-2H]- 258.04157 154.4
[M]+ 237.06635 151.9
[M]- 237.06745 151.9
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

patents stripe