CID 206699

28466-72-0

Structural Information

Molecular Formula
C12H15N3
SMILES
CCNC1=CN(N=C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c1-2-13-12-8-14-15(10-12)9-11-6-4-3-5-7-11/h3-8,10,13H,2,9H2,1H3
InChIKey
HBLPMHWSVITEOG-UHFFFAOYSA-N
Compound name
1-benzyl-N-ethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.2
[M+Na]+ 224.11582 151.7
[M-H]- 200.11932 148.2
[M+NH4]+ 219.16042 162.1
[M+K]+ 240.08976 148.1
[M+H-H2O]+ 184.12386 135.5
[M+HCOO]- 246.12480 168.5
[M+CH3COO]- 260.14045 187.3
[M+Na-2H]- 222.10127 150.6
[M]+ 201.12605 144.1
[M]- 201.12715 144.1
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.