CID 81349

1-amino-4-methylpiperazine

Structural Information

Molecular Formula
C5H13N3
SMILES
CN1CCN(CC1)N
InChI
InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
InChIKey
RJWLLQWLBMJCFD-UHFFFAOYSA-N
Compound name
4-methylpiperazin-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

4079
Patents

115.11095 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.11823 125.3
[M+Na]+ 138.10017 131.4
[M-H]- 114.10367 125.2
[M+NH4]+ 133.14477 144.7
[M+K]+ 154.07411 130.6
[M+H-H2O]+ 98.108210 118.3
[M+HCOO]- 160.10915 144.5
[M+CH3COO]- 174.12480 170.9
[M+Na-2H]- 136.08562 131.1
[M]+ 115.11040 119.1
[M]- 115.11150 119.1
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