CID 132327795

4-(azetidin-1-yl)-4-methylcyclohexan-1-one

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CCC(=O)CC1)N2CCC2
InChI
InChI=1S/C10H17NO/c1-10(11-7-2-8-11)5-3-9(12)4-6-10/h2-8H2,1H3
InChIKey
JVLVPEMZTWDXAI-UHFFFAOYSA-N
Compound name
4-(azetidin-1-yl)-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 135.0
[M+Na]+ 190.12023 139.6
[M-H]- 166.12373 139.6
[M+NH4]+ 185.16483 149.6
[M+K]+ 206.09417 141.2
[M+H-H2O]+ 150.12827 124.3
[M+HCOO]- 212.12921 152.5
[M+CH3COO]- 226.14486 181.6
[M+Na-2H]- 188.10568 139.9
[M]+ 167.13046 138.9
[M]- 167.13156 138.9
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.