CID 165431082

2866352-84-1

Structural Information

Molecular Formula
C8H15NO
SMILES
CC12CCC(O1)(CC2)CN
InChI
InChI=1S/C8H15NO/c1-7-2-4-8(6-9,10-7)5-3-7/h2-6,9H2,1H3
InChIKey
NTOATGMWDDWCQB-UHFFFAOYSA-N
Compound name
(4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl)methanamine
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 129.4
[M+Na]+ 164.10459 136.9
[M-H]- 140.10809 132.4
[M+NH4]+ 159.14919 158.0
[M+K]+ 180.07853 136.2
[M+H-H2O]+ 124.11263 126.2
[M+HCOO]- 186.11357 150.6
[M+CH3COO]- 200.12922 174.0
[M+Na-2H]- 162.09004 137.0
[M]+ 141.11482 127.7
[M]- 141.11592 127.7
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.