CID 62130829

2138117-78-7

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=C(C=CC(=C1)N2C=CC=N2)CN
InChI
InChI=1S/C11H13N3/c1-9-7-11(4-3-10(9)8-12)14-6-2-5-13-14/h2-7H,8,12H2,1H3
InChIKey
OFXBIFVUNLTQFM-UHFFFAOYSA-N
Compound name
(2-methyl-4-pyrazol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 141.1
[M+Na]+ 210.10017 154.3
[M+NH4]+ 205.14477 149.6
[M+K]+ 226.07411 149.2
[M-H]- 186.10367 144.8
[M+Na-2H]- 208.08562 149.6
[M]+ 187.11040 143.9
[M]- 187.11150 143.9
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

No patent data available for this compound.