CID 118608936

Rel-2-((1r,3r)-3-aminocyclobutyl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C1C(CC1N)CCO
InChI
InChI=1S/C6H13NO/c7-6-3-5(4-6)1-2-8/h5-6,8H,1-4,7H2
InChIKey
AKNQWAKUSRLXET-UHFFFAOYSA-N
Compound name
2-(3-aminocyclobutyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.2
[M+Na]+ 138.08894 129.2
[M-H]- 114.09244 126.0
[M+NH4]+ 133.13354 139.3
[M+K]+ 154.06288 131.2
[M+H-H2O]+ 98.096980 114.1
[M+HCOO]- 160.09792 145.3
[M+CH3COO]- 174.11357 173.4
[M+Na-2H]- 136.07439 128.8
[M]+ 115.09917 129.3
[M]- 115.10027 129.3
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