CID 769146

1-benzyl-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NN(C(=C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3
InChIKey
WRHZMJSDCJXWDL-UHFFFAOYSA-N
Compound name
2-benzyl-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

161
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.3
[M+Na]+ 210.10017 149.3
[M-H]- 186.10367 144.5
[M+NH4]+ 205.14477 158.9
[M+K]+ 226.07411 145.6
[M+H-H2O]+ 170.10821 132.2
[M+HCOO]- 232.10915 164.4
[M+CH3COO]- 246.12480 153.7
[M+Na-2H]- 208.08562 145.5
[M]+ 187.11040 139.3
[M]- 187.11150 139.3
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

patents stripe