CID 21054629

1-(oxolan-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C1CCOC1)N
InChI
InChI=1S/C6H13NO/c1-5(7)6-2-3-8-4-6/h5-6H,2-4,7H2,1H3
InChIKey
JCIAQQOICXUMNX-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.1
[M+Na]+ 138.088938 130.4
[M-H]- 114.092444 128.3
[M+NH4]+ 133.133543 147.4
[M+K]+ 154.062878 131.4
[M+H-H2O]+ 98.096980 119.9
[M+HCOO]- 160.097921 147.0
[M+CH3COO]- 174.113571 170.0
[M+Na-2H]- 136.074386 129.5
[M]+ 115.09917142 121.2
[M]- 115.10026858 121.2
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