CID 80120942

N-(oxetan-3-yl)oxolan-3-amine

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1COCC1NC2COC2
InChI
InChI=1S/C7H13NO2/c1-2-9-3-6(1)8-7-4-10-5-7/h6-8H,1-5H2
InChIKey
KFAKOOGPFYMRRL-UHFFFAOYSA-N
Compound name
N-(oxetan-3-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 120.5
[M+Na]+ 166.083858 123.6
[M-H]- 142.087364 127.6
[M+NH4]+ 161.128463 133.8
[M+K]+ 182.057798 128.7
[M+H-H2O]+ 126.091900 110.2
[M+HCOO]- 188.092841 141.3
[M+CH3COO]- 202.108491 176.8
[M+Na-2H]- 164.069306 127.8
[M]+ 143.09409142 126.6
[M]- 143.09518858 126.6
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.