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

24
Patents

141.09021 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 128.4
[M+Na]+ 164.079428 136.6
[M-H]- 140.082934 127.8
[M+NH4]+ 159.124033 148.1
[M+K]+ 180.053368 134.7
[M+H-H2O]+ 124.087470 121.5
[M+HCOO]- 186.088411 151.2
[M+CH3COO]- 200.104061 172.4
[M+Na-2H]- 162.064876 133.9
[M]+ 141.08966142 127.1
[M]- 141.09075858 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