CID 10583319

85902-42-7

Structural Information

Molecular Formula
C10H8N2O
SMILES
C#CCNC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C10H8N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h1,3-6H,7H2,(H,11,12)
InChIKey
WQKUMFCKLGKQJU-UHFFFAOYSA-N
Compound name
N-prop-2-ynyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

172.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 135.3
[M+Na]+ 195.05288 147.4
[M-H]- 171.05638 137.2
[M+NH4]+ 190.09748 153.2
[M+K]+ 211.02682 142.8
[M+H-H2O]+ 155.06092 122.3
[M+HCOO]- 217.06186 154.4
[M+CH3COO]- 231.07751 147.8
[M+Na-2H]- 193.03833 143.3
[M]+ 172.06311 132.1
[M]- 172.06421 132.1
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