CID 50989707

3-(3-amino-1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1=CN(N=C1N)CCCO
InChI
InChI=1S/C6H11N3O/c7-6-2-4-9(8-6)3-1-5-10/h2,4,10H,1,3,5H2,(H2,7,8)
InChIKey
ZQIOGDSNYJYBTN-UHFFFAOYSA-N
Compound name
3-(3-aminopyrazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

141.09021 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.4
[M+Na]+ 164.07943 136.6
[M-H]- 140.08293 127.8
[M+NH4]+ 159.12403 148.1
[M+K]+ 180.05337 134.7
[M+H-H2O]+ 124.08747 121.5
[M+HCOO]- 186.08841 151.2
[M+CH3COO]- 200.10406 172.4
[M+Na-2H]- 162.06488 133.9
[M]+ 141.08966 127.1
[M]- 141.09076 127.1
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