CID 11815885

3-azidoaniline hydrochloride

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=CC(=CC(=C1)N=[N+]=[N-])N
InChI
InChI=1S/C6H6N4/c7-5-2-1-3-6(4-5)9-10-8/h1-4H,7H2
InChIKey
QNLSJPUEPXAOGG-UHFFFAOYSA-N
Compound name
3-azidoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

134.05925 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 120.6
[M+Na]+ 157.04847 128.0
[M-H]- 133.05197 126.9
[M+NH4]+ 152.09307 142.0
[M+K]+ 173.02241 122.4
[M+H-H2O]+ 117.05651 118.7
[M+HCOO]- 179.05745 153.3
[M+CH3COO]- 193.07310 177.4
[M+Na-2H]- 155.03392 132.5
[M]+ 134.05870 116.3
[M]- 134.05980 116.3
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