CID 1091687

2-(3,5-dimethyl-1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=CC(=NN1CCN)C
InChI
InChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3
InChIKey
FXLOXQBWUPCCDL-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

139.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.5
[M+Na]+ 162.10017 138.8
[M-H]- 138.10367 130.5
[M+NH4]+ 157.14477 150.4
[M+K]+ 178.07411 137.0
[M+H-H2O]+ 122.10821 122.7
[M+HCOO]- 184.10915 153.2
[M+CH3COO]- 198.12480 177.1
[M+Na-2H]- 160.08562 134.3
[M]+ 139.11040 129.4
[M]- 139.11150 129.4
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