CID 22639984

[1-(aminomethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(C1)(CN)CO
InChI
InChI=1S/C6H13NO/c7-4-6(5-8)2-1-3-6/h8H,1-5,7H2
InChIKey
ZDGSQIAVDXICTE-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

115.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.6
[M+Na]+ 138.088938 130.6
[M-H]- 114.092444 127.4
[M+NH4]+ 133.133543 142.3
[M+K]+ 154.062878 132.5
[M+H-H2O]+ 98.096980 116.7
[M+HCOO]- 160.097921 146.7
[M+CH3COO]- 174.113571 171.9
[M+Na-2H]- 136.074386 131.9
[M]+ 115.09917142 130.7
[M]- 115.10026858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe