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

100
Patents

172.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 135.3
[M+Na]+ 195.052878 147.4
[M-H]- 171.056384 137.2
[M+NH4]+ 190.097483 153.2
[M+K]+ 211.026818 142.8
[M+H-H2O]+ 155.060920 122.3
[M+HCOO]- 217.061861 154.4
[M+CH3COO]- 231.077511 147.8
[M+Na-2H]- 193.038326 143.3
[M]+ 172.06311142 132.1
[M]- 172.06420858 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