CID 7016434

173143-73-2

Structural Information

Molecular Formula
C11H15NO
SMILES
C[C@H](C1=CC=CC=C1)N2C[C@H]2CO
InChI
InChI=1S/C11H15NO/c1-9(12-7-11(12)8-13)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12?/m1/s1
InChIKey
BMEHDCBKAUDFBH-BVAQLPTGSA-N
Compound name
[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 140.8
[M+Na]+ 200.10459 154.8
[M+NH4]+ 195.14919 149.9
[M+K]+ 216.07853 149.8
[M-H]- 176.10809 150.4
[M+Na-2H]- 198.09004 150.6
[M]+ 177.11482 146.6
[M]- 177.11592 146.6
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