CID 141652

1-azido-2-methylbenzene

Structural Information

Molecular Formula
C7H7N3
SMILES
CC1=CC=CC=C1N=[N+]=[N-]
InChI
InChI=1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3
InChIKey
ZKGVLNVASIPVAU-UHFFFAOYSA-N
Compound name
1-azido-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

133.064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 122.6
[M+Na]+ 156.05322 130.5
[M-H]- 132.05672 129.4
[M+NH4]+ 151.09782 144.8
[M+K]+ 172.02716 125.0
[M+H-H2O]+ 116.06126 121.0
[M+HCOO]- 178.06220 154.6
[M+CH3COO]- 192.07785 176.5
[M+Na-2H]- 154.03867 134.5
[M]+ 133.06345 120.3
[M]- 133.06455 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