CID 67076040

1201935-82-1

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

54
Patents

157.04874 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 128.0
[M+Na]+ 180.037958 137.1
[M-H]- 156.041464 128.6
[M+NH4]+ 175.082563 146.9
[M+K]+ 196.011898 132.0
[M+H-H2O]+ 140.046000 126.3
[M+HCOO]- 202.046941 151.9
[M+CH3COO]- 216.062591 167.5
[M+Na-2H]- 178.023406 135.7
[M]+ 157.04819142 127.0
[M]- 157.04928858 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