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]+ 142.122646 137.1
[M+Na]+ 164.104588 145.3
[M-H]- 140.108094 139.4
[M+NH4]+ 159.149193 163.4
[M+K]+ 180.078528 146.4
[M+H-H2O]+ 124.112630 132.4
[M+HCOO]- 186.113571 155.0
[M+CH3COO]- 200.129221 181.9
[M+Na-2H]- 162.090036 146.9
[M]+ 141.11482142 150.0
[M]- 141.11591858 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.