CID 7131579

892502-07-7

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CN(N=C1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2
InChIKey
PTNZUQYUPCUNSX-UHFFFAOYSA-N
Compound name
[4-(pyrazol-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

187.11095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 141.2
[M+Na]+ 210.10017 154.0
[M+NH4]+ 205.14477 149.7
[M+K]+ 226.07411 148.7
[M-H]- 186.10367 144.8
[M+Na-2H]- 208.08562 149.9
[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

patents stripe