CID 57454475

1807912-36-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CN(C)C1CC(C1)O
InChI
InChI=1S/C6H13NO/c1-7(2)5-3-6(8)4-5/h5-6,8H,3-4H2,1-2H3
InChIKey
ONAWMBIBGQABHD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.7
[M+Na]+ 138.088938 128.9
[M-H]- 114.092444 127.5
[M+NH4]+ 133.133543 139.7
[M+K]+ 154.062878 132.6
[M+H-H2O]+ 98.096980 113.5
[M+HCOO]- 160.097921 145.9
[M+CH3COO]- 174.113571 177.4
[M+Na-2H]- 136.074386 128.7
[M]+ 115.09917142 131.0
[M]- 115.10026858 131.0
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