CID 64089898

1-methyl-4-[(pyrrolidin-2-yl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C9H15N3
SMILES
CN1C=C(C=N1)CC2CCCN2
InChI
InChI=1S/C9H15N3/c1-12-7-8(6-11-12)5-9-3-2-4-10-9/h6-7,9-10H,2-5H2,1H3
InChIKey
ZBFJXJJLHWFPPQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(pyrrolidin-2-ylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 137.6
[M+Na]+ 188.11582 144.6
[M-H]- 164.11932 138.8
[M+NH4]+ 183.16042 156.8
[M+K]+ 204.08976 142.1
[M+H-H2O]+ 148.12386 129.2
[M+HCOO]- 210.12480 156.8
[M+CH3COO]- 224.14045 149.7
[M+Na-2H]- 186.10127 139.6
[M]+ 165.12605 133.7
[M]- 165.12715 133.7
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.