CID 53671193

[1-(methylamino)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CNC1(CCC1)CO
InChI
InChI=1S/C6H13NO/c1-7-6(5-8)3-2-4-6/h7-8H,2-5H2,1H3
InChIKey
BAAMMBDGTMPMRK-UHFFFAOYSA-N
Compound name
[1-(methylamino)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 124.6
[M+Na]+ 138.088938 129.6
[M-H]- 114.092444 126.9
[M+NH4]+ 133.133543 141.6
[M+K]+ 154.062878 131.9
[M+H-H2O]+ 98.096980 115.7
[M+HCOO]- 160.097921 146.3
[M+CH3COO]- 174.113571 172.5
[M+Na-2H]- 136.074386 132.0
[M]+ 115.09917142 130.6
[M]- 115.10026858 130.6
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