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]+ 190.12265 144.0
[M+Na]+ 212.10459 148.8
[M-H]- 188.10809 148.4
[M+NH4]+ 207.14919 164.1
[M+K]+ 228.07853 150.2
[M+H-H2O]+ 172.11263 135.8
[M+HCOO]- 234.11357 161.7
[M+CH3COO]- 248.12922 156.2
[M+Na-2H]- 210.09004 151.3
[M]+ 189.11482 154.6
[M]- 189.11592 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.