CID 580103

(1-ethyl-1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C6H11N3
SMILES
CCN1C=C(C=N1)CN
InChI
InChI=1S/C6H11N3/c1-2-9-5-6(3-7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKey
MIAQYVFWXDEYAK-UHFFFAOYSA-N
Compound name
(1-ethylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 124.9
[M+Na]+ 148.084518 133.6
[M-H]- 124.088024 125.7
[M+NH4]+ 143.129123 146.0
[M+K]+ 164.058458 132.2
[M+H-H2O]+ 108.092560 117.9
[M+HCOO]- 170.093501 149.0
[M+CH3COO]- 184.109151 173.0
[M+Na-2H]- 146.069966 131.0
[M]+ 125.09475142 124.1
[M]- 125.09584858 124.1
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

patents stripe