CID 76626

1-(2-phenylethyl)aziridine

Structural Information

Molecular Formula
C10H13N
SMILES
C1CN1CCC2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-4-10(5-3-1)6-7-11-8-9-11/h1-5H,6-9H2
InChIKey
QSHMWSLFNQLCNI-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

147.1048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 132.9
[M+Na]+ 170.094018 141.8
[M-H]- 146.097524 138.8
[M+NH4]+ 165.138623 148.0
[M+K]+ 186.067958 139.0
[M+H-H2O]+ 130.102060 125.3
[M+HCOO]- 192.103001 156.5
[M+CH3COO]- 206.118651 179.2
[M+Na-2H]- 168.079466 140.9
[M]+ 147.10425142 134.5
[M]- 147.10534858 134.5
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