CID 72207853

Di(oxetan-3-yl)amine

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C(CO1)NC2COC2
InChI
InChI=1S/C6H11NO2/c1-5(2-8-1)7-6-3-9-4-6/h5-7H,1-4H2
InChIKey
FVMLCWCGBGGOLK-UHFFFAOYSA-N
Compound name
N-(oxetan-3-yl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 109.3
[M+Na]+ 152.068198 111.9
[M-H]- 128.071704 116.3
[M+NH4]+ 147.112803 115.0
[M+K]+ 168.042138 120.3
[M+H-H2O]+ 112.076240 94.6
[M+HCOO]- 174.077181 128.3
[M+CH3COO]- 188.092831 185.7
[M+Na-2H]- 150.053646 118.5
[M]+ 129.07843142 124.5
[M]- 129.07952858 124.5
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