CID 75525661

1-(cyclopropylmethyl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CC1CN2C=C(C=N2)O
InChI
InChI=1S/C7H10N2O/c10-7-3-8-9(5-7)4-6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKey
FPZVLZXWWNYGDS-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

138.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 131.1
[M+Na]+ 161.068538 141.8
[M-H]- 137.072044 135.0
[M+NH4]+ 156.113143 146.6
[M+K]+ 177.042478 138.3
[M+H-H2O]+ 121.076580 123.9
[M+HCOO]- 183.077521 153.6
[M+CH3COO]- 197.093171 173.6
[M+Na-2H]- 159.053986 136.8
[M]+ 138.07877142 132.9
[M]- 138.07986858 132.9
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