CID 6483888

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

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(CN1C=CC=N1)N
InChI
InChI=1S/C6H11N3/c1-6(7)5-9-4-2-3-8-9/h2-4,6H,5,7H2,1H3
InChIKey
UWVUXGHAXNILPG-UHFFFAOYSA-N
Compound name
1-pyrazol-1-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
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 125.7
[M+Na]+ 148.08452 133.2
[M-H]- 124.08802 126.2
[M+NH4]+ 143.12912 146.4
[M+K]+ 164.05846 132.3
[M+H-H2O]+ 108.09256 118.5
[M+HCOO]- 170.09350 148.8
[M+CH3COO]- 184.10915 172.7
[M+Na-2H]- 146.06997 131.2
[M]+ 125.09475 123.8
[M]- 125.09585 123.8
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