CID 98371

2-tert-butyl-3-phenyloxaziridine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)(C)N1C(O1)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-11(2,3)12-10(13-12)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKey
YFBUTSZDUOMTAP-UHFFFAOYSA-N
Compound name
2-tert-butyl-3-phenyloxaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

177.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 140.9
[M+Na]+ 200.104588 151.0
[M-H]- 176.108094 148.2
[M+NH4]+ 195.149193 154.2
[M+K]+ 216.078528 149.7
[M+H-H2O]+ 160.112630 133.8
[M+HCOO]- 222.113571 161.9
[M+CH3COO]- 236.129221 184.6
[M+Na-2H]- 198.090036 149.2
[M]+ 177.11482142 144.9
[M]- 177.11591858 144.9
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