CID 43479097

Methyl[(1-phenyl-1h-pyrazol-3-yl)methyl]amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CNCC1=NN(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3/c1-12-9-10-7-8-14(13-10)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3
InChIKey
QJNLIJWRMKGZAO-UHFFFAOYSA-N
Compound name
N-methyl-1-(1-phenylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 139.6
[M+Na]+ 210.10017 147.6
[M-H]- 186.10367 143.9
[M+NH4]+ 205.14477 158.1
[M+K]+ 226.07411 144.3
[M+H-H2O]+ 170.10821 131.1
[M+HCOO]- 232.10915 164.3
[M+CH3COO]- 246.12480 152.8
[M+Na-2H]- 208.08562 146.6
[M]+ 187.11040 139.2
[M]- 187.11150 139.2
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