CID 43251684

2-(4-acetyl-1,4-diazepan-1-yl)ethanamine

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(=O)N1CCCN(CC1)CCN
InChI
InChI=1S/C9H19N3O/c1-9(13)12-5-2-4-11(6-3-10)7-8-12/h2-8,10H2,1H3
InChIKey
RYUJXKQEZJLFDB-UHFFFAOYSA-N
Compound name
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 139.4
[M+Na]+ 208.14204 142.3
[M-H]- 184.14554 140.2
[M+NH4]+ 203.18664 154.7
[M+K]+ 224.11598 145.6
[M+H-H2O]+ 168.15008 131.1
[M+HCOO]- 230.15102 156.3
[M+CH3COO]- 244.16667 186.1
[M+Na-2H]- 206.12749 142.0
[M]+ 185.15227 131.8
[M]- 185.15337 131.8
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

No patent data available for this compound.