CID 138039837

2241140-70-3

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC12CC(C1)(OC2)CN
InChI
InChI=1S/C8H15NO/c1-2-7-3-8(4-7,5-9)10-6-7/h2-6,9H2,1H3
InChIKey
TVZCMRAQKHFNRF-UHFFFAOYSA-N
Compound name
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 125.9
[M+Na]+ 164.10459 128.9
[M+NH4]+ 159.14919 134.8
[M+K]+ 180.07853 125.8
[M-H]- 140.10809 123.2
[M+Na-2H]- 162.09004 124.9
[M]+ 141.11482 124.5
[M]- 141.11592 124.5
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.