CID 102810

Beta-phenylaziridine-1-ethanol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CN1C(CO)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c12-8-10(11-6-7-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
AOFNHMQBIXEYOK-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.4
[M+Na]+ 186.088938 143.7
[M-H]- 162.092444 140.2
[M+NH4]+ 181.133543 149.2
[M+K]+ 202.062878 140.6
[M+H-H2O]+ 146.096980 128.2
[M+HCOO]- 208.097921 156.9
[M+CH3COO]- 222.113571 179.3
[M+Na-2H]- 184.074386 141.9
[M]+ 163.09917142 136.2
[M]- 163.10026858 136.2
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.