CID 1090341

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

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(C)N1C(=CC=N1)N
InChI
InChI=1S/C6H11N3/c1-5(2)9-6(7)3-4-8-9/h3-5H,7H2,1-2H3
InChIKey
AHRQLLLOCPXPCS-UHFFFAOYSA-N
Compound name
2-propan-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

210
Patents

125.0953 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.6
[M+Na]+ 148.08452 134.1
[M-H]- 124.08802 126.6
[M+NH4]+ 143.12912 146.7
[M+K]+ 164.05846 133.1
[M+H-H2O]+ 108.09256 118.8
[M+HCOO]- 170.09350 148.7
[M+CH3COO]- 184.10915 173.8
[M+Na-2H]- 146.06997 130.4
[M]+ 125.09475 124.2
[M]- 125.09585 124.2
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