CID 55300277

917827-86-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CNCC1CC(C1)O
InChI
InChI=1S/C6H13NO/c1-7-4-5-2-6(8)3-5/h5-8H,2-4H2,1H3
InChIKey
MCZGKHDYQOQIQW-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.3
[M+Na]+ 138.088938 128.3
[M-H]- 114.092444 125.6
[M+NH4]+ 133.133543 138.6
[M+K]+ 154.062878 130.6
[M+H-H2O]+ 98.096980 113.3
[M+HCOO]- 160.097921 145.0
[M+CH3COO]- 174.113571 174.0
[M+Na-2H]- 136.074386 129.0
[M]+ 115.09917142 129.4
[M]- 115.10026858 129.4
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