CID 66057

2-methylpiperazine

Structural Information

Molecular Formula
C5H12N2
SMILES
CC1CNCCN1
InChI
InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3
InChIKey
JOMNTHCQHJPVAZ-UHFFFAOYSA-N
Compound name
2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

22019
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 122.8
[M+Na]+ 123.08927 127.9
[M-H]- 99.092774 120.0
[M+NH4]+ 118.13387 141.6
[M+K]+ 139.06321 125.8
[M+H-H2O]+ 83.097310 116.5
[M+HCOO]- 145.09825 138.6
[M+CH3COO]- 159.11390 160.4
[M+Na-2H]- 121.07472 129.0
[M]+ 100.09950 114.1
[M]- 100.10060 114.1
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