CID 3047322

63226-82-4

Structural Information

Molecular Formula
C10H13NO
SMILES
CN1[C@@H]([C@@H]1C2=CC=CC=C2)CO
InChI
InChI=1S/C10H13NO/c1-11-9(7-12)10(11)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3/t9-,10+,11?/m1/s1
InChIKey
HXWKVVPFOVNXCP-JKIOLJMWSA-N
Compound name
[(2S,3S)-1-methyl-3-phenylaziridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
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]+ 164.10700 135.5
[M+Na]+ 186.08894 145.9
[M-H]- 162.09244 140.9
[M+NH4]+ 181.13354 149.9
[M+K]+ 202.06288 142.1
[M+H-H2O]+ 146.09698 128.7
[M+HCOO]- 208.09792 157.8
[M+CH3COO]- 222.11357 180.6
[M+Na-2H]- 184.07439 141.7
[M]+ 163.09917 137.7
[M]- 163.10027 137.7
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.