CID 3047322

2-aziridinemethanol, 1-methyl-3-phenyl-, cis-

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]+ 164.106996 135.5
[M+Na]+ 186.088938 145.9
[M-H]- 162.092444 140.9
[M+NH4]+ 181.133543 149.9
[M+K]+ 202.062878 142.1
[M+H-H2O]+ 146.096980 128.7
[M+HCOO]- 208.097921 157.8
[M+CH3COO]- 222.113571 180.6
[M+Na-2H]- 184.074386 141.7
[M]+ 163.09917142 137.7
[M]- 163.10026858 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.