CID 53840141

1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1C(CC1(CN)O)CO
InChI
InChI=1S/C6H13NO2/c7-4-6(9)1-5(2-6)3-8/h5,8-9H,1-4,7H2
InChIKey
GIMKTRWLWYTOJK-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.6
[M+Na]+ 154.08386 134.8
[M-H]- 130.08736 130.3
[M+NH4]+ 149.12846 145.1
[M+K]+ 170.05780 136.4
[M+H-H2O]+ 114.09190 120.7
[M+HCOO]- 176.09284 149.3
[M+CH3COO]- 190.10849 172.5
[M+Na-2H]- 152.06931 134.6
[M]+ 131.09409 134.5
[M]- 131.09519 134.5
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