CID 12681411

1-azido-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C9H11N3
SMILES
CC(C)C1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C9H11N3/c1-7(2)8-3-5-9(6-4-8)11-12-10/h3-7H,1-2H3
InChIKey
CZCQLOBFXPPLNP-UHFFFAOYSA-N
Compound name
1-azido-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

161.09529 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 132.6
[M+Na]+ 184.084508 139.3
[M-H]- 160.088014 139.0
[M+NH4]+ 179.129113 153.6
[M+K]+ 200.058448 133.8
[M+H-H2O]+ 144.092550 130.6
[M+HCOO]- 206.093491 162.9
[M+CH3COO]- 220.109141 183.4
[M+Na-2H]- 182.069956 142.1
[M]+ 161.09474142 130.4
[M]- 161.09583858 130.4
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