CID 18373421

239097-74-6

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC2=C(C=C1N)C=NO2
InChI
InChI=1S/C7H6N2O/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2
InChIKey
KSYPAYCLSJHBKA-UHFFFAOYSA-N
Compound name
1,2-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

134.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 120.8
[M+Na]+ 157.03724 131.8
[M-H]- 133.04074 125.2
[M+NH4]+ 152.08184 142.7
[M+K]+ 173.01118 130.4
[M+H-H2O]+ 117.04528 114.9
[M+HCOO]- 179.04622 146.6
[M+CH3COO]- 193.06187 136.4
[M+Na-2H]- 155.02269 131.3
[M]+ 134.04747 122.3
[M]- 134.04857 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe