CID 7015036

1-[2-(1h-pyrazol-1-yl)phenyl]methanamine

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC=C(C(=C1)CN)N2C=CC=N2
InChI
InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
InChIKey
SJMJUZRSTJBVPG-UHFFFAOYSA-N
Compound name
(2-pyrazol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

173.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 135.4
[M+Na]+ 196.08451 143.9
[M-H]- 172.08801 139.4
[M+NH4]+ 191.12911 154.3
[M+K]+ 212.05845 140.4
[M+H-H2O]+ 156.09255 127.2
[M+HCOO]- 218.09349 159.8
[M+CH3COO]- 232.10914 148.8
[M+Na-2H]- 194.06996 141.9
[M]+ 173.09474 133.7
[M]- 173.09584 133.7
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