CID 16783170

953739-57-6

Structural Information

Molecular Formula
C9H21N3
SMILES
CCC(CN)N1CCN(CC1)C
InChI
InChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3
InChIKey
IOUVVJBTUSNJTA-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

171.17355 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 143.6
[M+Na]+ 194.16277 147.8
[M-H]- 170.16627 142.9
[M+NH4]+ 189.20737 160.7
[M+K]+ 210.13671 146.4
[M+H-H2O]+ 154.17081 135.9
[M+HCOO]- 216.17175 160.5
[M+CH3COO]- 230.18740 183.9
[M+Na-2H]- 192.14822 146.0
[M]+ 171.17300 138.2
[M]- 171.17410 138.2
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