CID 28063596

[(1-ethyl-1h-pyrazol-4-yl)methyl](propan-2-yl)amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CCN1C=C(C=N1)CNC(C)C
InChI
InChI=1S/C9H17N3/c1-4-12-7-9(6-11-12)5-10-8(2)3/h6-8,10H,4-5H2,1-3H3
InChIKey
KWQPUHNIFAGYSP-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.0
[M+Na]+ 190.131458 146.2
[M-H]- 166.134964 140.0
[M+NH4]+ 185.176063 158.7
[M+K]+ 206.105398 144.8
[M+H-H2O]+ 150.139500 131.5
[M+HCOO]- 212.140441 161.8
[M+CH3COO]- 226.156091 183.6
[M+Na-2H]- 188.116906 143.3
[M]+ 167.14169142 139.7
[M]- 167.14278858 139.7
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.