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
4
Annotation Hits

652
References

1349
Patents

177.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.7
[M+Na]+ 200.104588 146.0
[M-H]- 176.108094 143.4
[M+NH4]+ 195.149193 159.4
[M+K]+ 216.078528 139.9
[M+H-H2O]+ 160.112630 139.1
[M+HCOO]- 222.113571 163.2
[M+CH3COO]- 236.129221 175.8
[M+Na-2H]- 198.090036 148.4
[M]+ 177.11482142 137.4
[M]- 177.11591858 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

literature stripe

Patent stripe

patents stripe