CID 86811647

1-(aminomethyl)-3-ethoxycyclobutan-1-ol

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCOC1CC(C1)(CN)O
InChI
InChI=1S/C7H15NO2/c1-2-10-6-3-7(9,4-6)5-8/h6,9H,2-5,8H2,1H3
InChIKey
DCPRZZYRHNKGAE-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-ethoxycyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 132.5
[M+Na]+ 168.099498 137.7
[M-H]- 144.103004 134.4
[M+NH4]+ 163.144103 148.2
[M+K]+ 184.073438 139.9
[M+H-H2O]+ 128.107540 123.3
[M+HCOO]- 190.108481 153.3
[M+CH3COO]- 204.124131 177.9
[M+Na-2H]- 166.084946 137.6
[M]+ 145.10973142 139.6
[M]- 145.11082858 139.6
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.