CID 7022224

[(1-ethyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CCN1C(=C(C(=N1)C)CNC)C
InChI
InChI=1S/C9H17N3/c1-5-12-8(3)9(6-10-4)7(2)11-12/h10H,5-6H2,1-4H3
InChIKey
GMTGJNZXFRIXQA-UHFFFAOYSA-N
Compound name
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.14224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 138.1
[M+Na]+ 190.131458 147.5
[M-H]- 166.134964 139.7
[M+NH4]+ 185.176063 158.5
[M+K]+ 206.105398 145.5
[M+H-H2O]+ 150.139500 131.2
[M+HCOO]- 212.140441 161.8
[M+CH3COO]- 226.156091 185.1
[M+Na-2H]- 188.116906 142.1
[M]+ 167.14169142 140.2
[M]- 167.14278858 140.2
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