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

163
Patents

134.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 120.8
[M+Na]+ 157.037238 131.8
[M-H]- 133.040744 125.2
[M+NH4]+ 152.081843 142.7
[M+K]+ 173.011178 130.4
[M+H-H2O]+ 117.045280 114.9
[M+HCOO]- 179.046221 146.6
[M+CH3COO]- 193.061871 136.4
[M+Na-2H]- 155.022686 131.3
[M]+ 134.04747142 122.3
[M]- 134.04856858 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