CID 7131170

Methyl[(1-phenyl-1h-pyrazol-4-yl)methyl]amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
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

literature stripe

Patent stripe

patents stripe