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]+ 142.122646 129.4
[M+Na]+ 164.104588 136.9
[M-H]- 140.108094 132.4
[M+NH4]+ 159.149193 158.0
[M+K]+ 180.078528 136.2
[M+H-H2O]+ 124.112630 126.2
[M+HCOO]- 186.113571 150.6
[M+CH3COO]- 200.129221 174.0
[M+Na-2H]- 162.090036 137.0
[M]+ 141.11482142 127.7
[M]- 141.11591858 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.