CID 137935694

1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-amine

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(C2(CC(C2)(O1)C)N)C
InChI
InChI=1S/C8H15NO/c1-6(2)8(9)4-7(3,5-8)10-6/h4-5,9H2,1-3H3
InChIKey
FCALZFOTXMVUTL-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 137.1
[M+Na]+ 164.10459 145.3
[M-H]- 140.10809 139.4
[M+NH4]+ 159.14919 163.4
[M+K]+ 180.07853 146.4
[M+H-H2O]+ 124.11263 132.4
[M+HCOO]- 186.11357 155.0
[M+CH3COO]- 200.12922 181.9
[M+Na-2H]- 162.09004 146.9
[M]+ 141.11482 150.0
[M]- 141.11592 150.0
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.