CID 137935644

2253640-39-8

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(C2(CC(C2)(O1)CO)N)C
InChI
InChI=1S/C8H15NO2/c1-6(2)8(9)3-7(4-8,5-10)11-6/h10H,3-5,9H2,1-2H3
InChIKey
QVBLOZUACCSMID-UHFFFAOYSA-N
Compound name
(4-amino-3,3-dimethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 141.2
[M+Na]+ 180.09950 148.9
[M-H]- 156.10300 142.2
[M+NH4]+ 175.14410 166.2
[M+K]+ 196.07344 149.7
[M+H-H2O]+ 140.10754 136.7
[M+HCOO]- 202.10848 157.8
[M+CH3COO]- 216.12413 181.4
[M+Na-2H]- 178.08495 150.9
[M]+ 157.10973 154.0
[M]- 157.11083 154.0
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.