CID 57516921

(5-amino-1-methyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN1C(=CC(=N1)CO)N
InChI
InChI=1S/C5H9N3O/c1-8-5(6)2-4(3-9)7-8/h2,9H,3,6H2,1H3
InChIKey
ZTKXEYGIPCXWTN-UHFFFAOYSA-N
Compound name
(5-amino-1-methylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.07456 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.1
[M+Na]+ 150.063778 133.7
[M-H]- 126.067284 124.0
[M+NH4]+ 145.108383 144.6
[M+K]+ 166.037718 132.0
[M+H-H2O]+ 110.071820 117.7
[M+HCOO]- 172.072761 147.2
[M+CH3COO]- 186.088411 170.5
[M+Na-2H]- 148.049226 129.4
[M]+ 127.07401142 122.8
[M]- 127.07510858 122.8
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