CID 31642

1-(2-propylvaleryl)azetidine

Structural Information

Molecular Formula
C11H21NO
SMILES
CCCC(CCC)C(=O)N1CCC1
InChI
InChI=1S/C11H21NO/c1-3-6-10(7-4-2)11(13)12-8-5-9-12/h10H,3-9H2,1-2H3
InChIKey
VOCVVBAVUYEGDL-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 147.0
[M+Na]+ 206.15153 150.4
[M-H]- 182.15503 148.2
[M+NH4]+ 201.19613 159.0
[M+K]+ 222.12547 152.5
[M+H-H2O]+ 166.15957 135.4
[M+HCOO]- 228.16051 164.6
[M+CH3COO]- 242.17616 188.2
[M+Na-2H]- 204.13698 148.5
[M]+ 183.16176 155.7
[M]- 183.16286 155.7
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.