CID 155822018

2490420-78-3

Structural Information

Molecular Formula
C12H15NO
SMILES
C1C2CC1(CO2)C(C3=CC=CC=C3)N
InChI
InChI=1S/C12H15NO/c13-11(9-4-2-1-3-5-9)12-6-10(7-12)14-8-12/h1-5,10-11H,6-8,13H2
InChIKey
NFNUSHPETPEPNP-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexan-4-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 144.0
[M+Na]+ 212.104588 148.8
[M-H]- 188.108094 148.4
[M+NH4]+ 207.149193 164.1
[M+K]+ 228.078528 150.2
[M+H-H2O]+ 172.112630 135.8
[M+HCOO]- 234.113571 161.7
[M+CH3COO]- 248.129221 156.2
[M+Na-2H]- 210.090036 151.3
[M]+ 189.11482142 154.6
[M]- 189.11591858 154.6
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.