CID 43817898

(1-methyl-1h-pyrazol-5-yl)(phenyl)methanamine

Structural Information

Molecular Formula
C11H13N3
SMILES
CN1C(=CC=N1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C11H13N3/c1-14-10(7-8-13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3
InChIKey
VKNRMXMAIWNLNK-UHFFFAOYSA-N
Compound name
(2-methylpyrazol-3-yl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

187.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.7
[M+Na]+ 210.100168 148.4
[M-H]- 186.103674 144.6
[M+NH4]+ 205.144773 158.9
[M+K]+ 226.074108 145.2
[M+H-H2O]+ 170.108210 132.4
[M+HCOO]- 232.109151 163.7
[M+CH3COO]- 246.124801 153.5
[M+Na-2H]- 208.085616 145.4
[M]+ 187.11040142 138.7
[M]- 187.11149858 138.7
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