CID 95878

1,2-dimethyl-3-phenylaziridine

Structural Information

Molecular Formula
C10H13N
SMILES
CC1C(N1C)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-8-10(11(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
MKCZABZZOZOQTK-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-phenylaziridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

21
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 132.2
[M+Na]+ 170.094018 143.0
[M-H]- 146.097524 138.9
[M+NH4]+ 165.138623 148.0
[M+K]+ 186.067958 139.9
[M+H-H2O]+ 130.102060 125.2
[M+HCOO]- 192.103001 155.8
[M+CH3COO]- 206.118651 181.2
[M+Na-2H]- 168.079466 138.9
[M]+ 147.10425142 134.7
[M]- 147.10534858 134.7
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