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

68
Patents

171.13716 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 140.9
[M+Na]+ 194.12638 145.9
[M-H]- 170.12988 140.5
[M+NH4]+ 189.17098 158.0
[M+K]+ 210.10032 144.7
[M+H-H2O]+ 154.13442 133.4
[M+HCOO]- 216.13536 158.7
[M+CH3COO]- 230.15101 181.4
[M+Na-2H]- 192.11183 144.0
[M]+ 171.13661 135.9
[M]- 171.13771 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