CID 155943699

2613386-03-9

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C(CN1)C23CC(C2)(C3)O
InChI
InChI=1S/C8H13NO/c10-8-3-7(4-8,5-8)6-1-9-2-6/h6,9-10H,1-5H2
InChIKey
MEGXDVZYFKXXOM-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)bicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 152.9
[M+Na]+ 162.088938 155.5
[M-H]- 138.092444 155.7
[M+NH4]+ 157.133543 153.2
[M+K]+ 178.062878 160.9
[M+H-H2O]+ 122.096980 139.4
[M+HCOO]- 184.097921 160.5
[M+CH3COO]- 198.113571 218.2
[M+Na-2H]- 160.074386 157.0
[M]+ 139.09917142 176.1
[M]- 139.10026858 176.1
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.