CID 638877

N-tert-butyl-alpha-phenylnitrone

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)(C)/[N+](=C/C1=CC=CC=C1)/[O-]
InChI
InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
Compound name
N-tert-butyl-1-phenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

652
References

1371
Patents

177.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.7
[M+Na]+ 200.10459 146.0
[M-H]- 176.10809 143.4
[M+NH4]+ 195.14919 159.4
[M+K]+ 216.07853 139.9
[M+H-H2O]+ 160.11263 139.1
[M+HCOO]- 222.11357 163.2
[M+CH3COO]- 236.12922 175.8
[M+Na-2H]- 198.09004 148.4
[M]+ 177.11482 137.4
[M]- 177.11592 137.4
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.