CID 25248067

1-methyl-5-(pyrrolidin-2-yl)-1h-pyrazole dihydrochloride

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C(=CC=N1)C2CCCN2
InChI
InChI=1S/C8H13N3/c1-11-8(4-6-10-11)7-3-2-5-9-7/h4,6-7,9H,2-3,5H2,1H3
InChIKey
HJMDKIXQKXDUMY-UHFFFAOYSA-N
Compound name
1-methyl-5-pyrrolidin-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

151.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.1
[M+Na]+ 174.10017 140.6
[M-H]- 150.10367 134.5
[M+NH4]+ 169.14477 152.9
[M+K]+ 190.07411 138.3
[M+H-H2O]+ 134.10821 125.0
[M+HCOO]- 196.10915 152.7
[M+CH3COO]- 210.12480 145.7
[M+Na-2H]- 172.08562 135.6
[M]+ 151.11040 128.9
[M]- 151.11150 128.9
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