CID 137965934

2230799-56-9

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC1(CN(C1=O)C2CCC2)CN
InChI
InChI=1S/C9H16N2O/c1-9(5-10)6-11(8(9)12)7-3-2-4-7/h7H,2-6,10H2,1H3
InChIKey
GEJCMOVXNKCCJT-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-cyclobutyl-3-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 135.5
[M+Na]+ 191.11549 139.7
[M-H]- 167.11899 140.0
[M+NH4]+ 186.16009 142.8
[M+K]+ 207.08943 143.9
[M+H-H2O]+ 151.12353 121.0
[M+HCOO]- 213.12447 153.1
[M+CH3COO]- 227.14012 194.3
[M+Na-2H]- 189.10094 138.9
[M]+ 168.12572 149.1
[M]- 168.12682 149.1
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

No patent data available for this compound.