CID 16228160

1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride

Structural Information

Molecular Formula
C10H20N2O
SMILES
CC(C)CC(=O)N1CCCNCC1
InChI
InChI=1S/C10H20N2O/c1-9(2)8-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3
InChIKey
AEBLYKSUJSUQLD-UHFFFAOYSA-N
Compound name
1-(1,4-diazepan-1-yl)-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

184.15756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 139.1
[M+Na]+ 207.14678 140.9
[M-H]- 183.15028 138.6
[M+NH4]+ 202.19138 154.0
[M+K]+ 223.12072 143.7
[M+H-H2O]+ 167.15482 131.4
[M+HCOO]- 229.15576 152.9
[M+CH3COO]- 243.17141 182.2
[M+Na-2H]- 205.13223 141.0
[M]+ 184.15701 130.8
[M]- 184.15811 130.8
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

patents stripe