CID 6484192

4-(4-methylpiperazin-1-yl)butan-1-amine

Structural Information

Molecular Formula
C9H21N3
SMILES
CN1CCN(CC1)CCCCN
InChI
InChI=1S/C9H21N3/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-10H2,1H3
InChIKey
NXKRSMDVDRFSBV-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

171.17355 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 143.1
[M+Na]+ 194.16277 147.5
[M-H]- 170.16627 142.2
[M+NH4]+ 189.20737 160.2
[M+K]+ 210.13671 145.7
[M+H-H2O]+ 154.17081 135.3
[M+HCOO]- 216.17175 161.0
[M+CH3COO]- 230.18740 183.1
[M+Na-2H]- 192.14822 146.8
[M]+ 171.17300 138.3
[M]- 171.17410 138.3
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