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]+ 186.160096 139.4
[M+Na]+ 208.142038 142.3
[M-H]- 184.145544 140.2
[M+NH4]+ 203.186643 154.7
[M+K]+ 224.115978 145.6
[M+H-H2O]+ 168.150080 131.1
[M+HCOO]- 230.151021 156.3
[M+CH3COO]- 244.166671 186.1
[M+Na-2H]- 206.127486 142.0
[M]+ 185.15227142 131.8
[M]- 185.15336858 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.