CID 2756502

3-amino-1-(4-methylpiperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C8H17N3O
SMILES
CN1CCN(CC1)C(=O)CCN
InChI
InChI=1S/C8H17N3O/c1-10-4-6-11(7-5-10)8(12)2-3-9/h2-7,9H2,1H3
InChIKey
HNWCTCGGYQCMQS-UHFFFAOYSA-N
Compound name
3-amino-1-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

171.13716 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.144436 140.9
[M+Na]+ 194.126378 145.9
[M-H]- 170.129884 140.5
[M+NH4]+ 189.170983 158.0
[M+K]+ 210.100318 144.7
[M+H-H2O]+ 154.134420 133.4
[M+HCOO]- 216.135361 158.7
[M+CH3COO]- 230.151011 181.4
[M+Na-2H]- 192.111826 144.0
[M]+ 171.13661142 135.9
[M]- 171.13770858 135.9
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

patents stripe