CID 137430

1-azido-4-methylbenzene

Structural Information

Molecular Formula
C7H7N3
SMILES
CC1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C7H7N3/c1-6-2-4-7(5-3-6)9-10-8/h2-5H,1H3
InChIKey
YVXDRCDGBCOJHX-UHFFFAOYSA-N
Compound name
1-azido-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

766
Patents

133.064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 122.6
[M+Na]+ 156.053218 130.5
[M-H]- 132.056724 129.4
[M+NH4]+ 151.097823 144.8
[M+K]+ 172.027158 125.0
[M+H-H2O]+ 116.061260 121.0
[M+HCOO]- 178.062201 154.6
[M+CH3COO]- 192.077851 176.5
[M+Na-2H]- 154.038666 134.5
[M]+ 133.06345142 120.3
[M]- 133.06454858 120.3
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