CID 61735054

2-(5-amino-3-methyl-4-nitro-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H10N4O3
SMILES
CC1=NN(C(=C1[N+](=O)[O-])N)CCO
InChI
InChI=1S/C6H10N4O3/c1-4-5(10(12)13)6(7)9(8-4)2-3-11/h11H,2-3,7H2,1H3
InChIKey
RQIFZNGCMZASEJ-UHFFFAOYSA-N
Compound name
2-(5-amino-3-methyl-4-nitropyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.07529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08257 135.5
[M+Na]+ 209.06451 144.1
[M-H]- 185.06801 135.8
[M+NH4]+ 204.10911 152.9
[M+K]+ 225.03845 138.3
[M+H-H2O]+ 169.07255 133.4
[M+HCOO]- 231.07349 159.4
[M+CH3COO]- 245.08914 175.8
[M+Na-2H]- 207.04996 141.6
[M]+ 186.07474 133.4
[M]- 186.07584 133.4
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