CID 2769527

3-(propan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(C)C1=CC(=NN1)N
InChI
InChI=1S/C6H11N3/c1-4(2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9)
InChIKey
INSBBZDRQQVATI-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

125.0953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 126.4
[M+Na]+ 148.08452 134.5
[M-H]- 124.08802 126.0
[M+NH4]+ 143.12912 146.8
[M+K]+ 164.05846 132.6
[M+H-H2O]+ 108.09256 119.8
[M+HCOO]- 170.09350 148.0
[M+CH3COO]- 184.10915 171.2
[M+Na-2H]- 146.06997 130.7
[M]+ 125.09475 123.0
[M]- 125.09585 123.0
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