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 142.0
[M+Na]+ 213.09983 150.4
[M-H]- 189.10333 147.8
[M+NH4]+ 208.14443 155.0
[M+K]+ 229.07377 146.9
[M+H-H2O]+ 173.10787 134.6
[M+HCOO]- 235.10881 164.2
[M+CH3COO]- 249.12446 189.7
[M+Na-2H]- 211.08528 146.0
[M]+ 190.11006 142.5
[M]- 190.11116 142.5
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.