CID 165606093

2751704-49-9

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1(CC(C1)(CO)O)N
InChI
InChI=1S/C6H13NO2/c1-5(7)2-6(9,3-5)4-8/h8-9H,2-4,7H2,1H3
InChIKey
KLWDLEDRNAPGBR-UHFFFAOYSA-N
Compound name
3-amino-1-(hydroxymethyl)-3-methylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.5
[M+Na]+ 154.08386 136.7
[M-H]- 130.08736 131.7
[M+NH4]+ 149.12846 148.1
[M+K]+ 170.05780 138.3
[M+H-H2O]+ 114.09190 123.2
[M+HCOO]- 176.09284 150.2
[M+CH3COO]- 190.10849 172.3
[M+Na-2H]- 152.06931 136.6
[M]+ 131.09409 135.9
[M]- 131.09519 135.9
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

No patent data available for this compound.