CID 7022272

1-[(1-methyl-1h-pyrazol-4-yl)methyl]piperazine

Structural Information

Molecular Formula
C9H16N4
SMILES
CN1C=C(C=N1)CN2CCNCC2
InChI
InChI=1S/C9H16N4/c1-12-7-9(6-11-12)8-13-4-2-10-3-5-13/h6-7,10H,2-5,8H2,1H3
InChIKey
QQINQSPEYDVMCD-UHFFFAOYSA-N
Compound name
1-[(1-methylpyrazol-4-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.1375 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 142.8
[M+Na]+ 203.126718 148.9
[M-H]- 179.130224 141.9
[M+NH4]+ 198.171323 158.0
[M+K]+ 219.100658 145.7
[M+H-H2O]+ 163.134760 133.1
[M+HCOO]- 225.135701 158.3
[M+CH3COO]- 239.151351 153.2
[M+Na-2H]- 201.112166 146.2
[M]+ 180.13695142 137.1
[M]- 180.13804858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe