CID 53167

1-methylpiperazine

Structural Information

Molecular Formula
C5H12N2
SMILES
CN1CCNCC1
InChI
InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChIKey
PVOAHINGSUIXLS-UHFFFAOYSA-N
Compound name
1-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

137
References

140675
Patents

100.10005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 121.8
[M+Na]+ 123.08927 127.4
[M-H]- 99.092774 120.5
[M+NH4]+ 118.13387 141.4
[M+K]+ 139.06321 126.2
[M+H-H2O]+ 83.097310 115.3
[M+HCOO]- 145.09825 139.1
[M+CH3COO]- 159.11390 163.1
[M+Na-2H]- 121.07472 128.6
[M]+ 100.09950 115.1
[M]- 100.10060 115.1
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