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]+ 185.164836 139.1
[M+Na]+ 207.146778 140.9
[M-H]- 183.150284 138.6
[M+NH4]+ 202.191383 154.0
[M+K]+ 223.120718 143.7
[M+H-H2O]+ 167.154820 131.4
[M+HCOO]- 229.155761 152.9
[M+CH3COO]- 243.171411 182.2
[M+Na-2H]- 205.132226 141.0
[M]+ 184.15701142 130.8
[M]- 184.15810858 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