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

23
Patents

129.07898 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 109.3
[M+Na]+ 152.06820 111.9
[M-H]- 128.07170 116.3
[M+NH4]+ 147.11280 115.0
[M+K]+ 168.04214 120.3
[M+H-H2O]+ 112.07624 94.6
[M+HCOO]- 174.07718 128.3
[M+CH3COO]- 188.09283 185.7
[M+Na-2H]- 150.05365 118.5
[M]+ 129.07843 124.5
[M]- 129.07953 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