CID 2779749

1,2-benzoxazol-3-amine

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC=C2C(=C1)C(=NO2)N
InChI
InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey
NLMVYUBGWZWUGB-UHFFFAOYSA-N
Compound name
1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1138
Patents

134.04802 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe