CID 165592065

2-(3-aminooxetan-3-yl)propan-2-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)(C1(COC1)N)O
InChI
InChI=1S/C6H13NO2/c1-5(2,8)6(7)3-9-4-6/h8H,3-4,7H2,1-2H3
InChIKey
XKTWJJMZIHPYTC-UHFFFAOYSA-N
Compound name
2-(3-aminooxetan-3-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.3
[M+Na]+ 154.08386 132.6
[M-H]- 130.08736 130.0
[M+NH4]+ 149.12846 142.3
[M+K]+ 170.05780 136.4
[M+H-H2O]+ 114.09190 118.8
[M+HCOO]- 176.09284 146.2
[M+CH3COO]- 190.10849 174.1
[M+Na-2H]- 152.06931 135.5
[M]+ 131.09409 133.9
[M]- 131.09519 133.9
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.