CID 16773383

1-(1,4-diazepan-1-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)C(=O)N1CCCNCC1
InChI
InChI=1S/C9H18N2O/c1-8(2)9(12)11-6-3-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKey
ZHQHWBADDPLOQE-UHFFFAOYSA-N
Compound name
1-(1,4-diazepan-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

170.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 136.7
[M+Na]+ 193.13112 143.8
[M+NH4]+ 188.17572 142.8
[M+K]+ 209.10506 141.2
[M-H]- 169.13462 135.9
[M+Na-2H]- 191.11657 140.1
[M]+ 170.14135 137.1
[M]- 170.14245 137.1
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