CID 130636316

1-(2-hydroxyethyl)-3-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC1=NN(C=C1C#N)CCO
InChI
InChI=1S/C7H9N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-3H2,1H3
InChIKey
JHAVGSJOKWLAOV-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 127.7
[M+Na]+ 174.06377 138.4
[M-H]- 150.06727 127.2
[M+NH4]+ 169.10837 145.4
[M+K]+ 190.03771 136.4
[M+H-H2O]+ 134.07181 114.2
[M+HCOO]- 196.07275 146.1
[M+CH3COO]- 210.08840 186.6
[M+Na-2H]- 172.04922 132.5
[M]+ 151.07400 123.5
[M]- 151.07510 123.5
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

No patent data available for this compound.