CID 40067790

(1-phenyl-1h-pyrazol-3-yl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

173.09529 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe