CID 7016432

75985-51-2

Structural Information

Molecular Formula
C11H14N2O
SMILES
C[C@H](C1=CC=CC=C1)N2C[C@H]2C(=O)N
InChI
InChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)/t8-,10+,13?/m1/s1
InChIKey
PUPRTGJZBLTWDQ-KMDCHFIWSA-N
Compound name
(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 143.2
[M+Na]+ 213.09983 155.9
[M+NH4]+ 208.14443 151.6
[M+K]+ 229.07377 152.0
[M-H]- 189.10333 152.9
[M+Na-2H]- 211.08528 152.4
[M]+ 190.11006 148.7
[M]- 190.11116 148.7
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.