CID 67076040

(1-methyl-4-nitro-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C5H7N3O3
SMILES
CN1C=C(C(=N1)CO)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O3/c1-7-2-5(8(10)11)4(3-9)6-7/h2,9H,3H2,1H3
InChIKey
IMWPEOTZNMDDEG-UHFFFAOYSA-N
Compound name
(1-methyl-4-nitropyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

157.04874 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05602 128.0
[M+Na]+ 180.03796 137.1
[M-H]- 156.04146 128.6
[M+NH4]+ 175.08256 146.9
[M+K]+ 196.01190 132.0
[M+H-H2O]+ 140.04600 126.3
[M+HCOO]- 202.04694 151.9
[M+CH3COO]- 216.06259 167.5
[M+Na-2H]- 178.02341 135.7
[M]+ 157.04819 127.0
[M]- 157.04929 127.0
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