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]+ 168.138286 135.0
[M+Na]+ 190.120228 139.6
[M-H]- 166.123734 139.6
[M+NH4]+ 185.164833 149.6
[M+K]+ 206.094168 141.2
[M+H-H2O]+ 150.128270 124.3
[M+HCOO]- 212.129211 152.5
[M+CH3COO]- 226.144861 181.6
[M+Na-2H]- 188.105676 139.9
[M]+ 167.13046142 138.9
[M]- 167.13155858 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.