CID 161603

1,3,5-trimethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C6H11N3
SMILES
CC1=C(C(=NN1C)C)N
InChI
InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3
InChIKey
SSDGMKHZMNTWLS-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

527
Patents

125.0953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 124.8
[M+Na]+ 148.08452 135.4
[M-H]- 124.08802 126.4
[M+NH4]+ 143.12912 146.6
[M+K]+ 164.05846 133.9
[M+H-H2O]+ 108.09256 118.5
[M+HCOO]- 170.09350 148.8
[M+CH3COO]- 184.10915 175.3
[M+Na-2H]- 146.06997 129.4
[M]+ 125.09475 124.7
[M]- 125.09585 124.7
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