CID 379430

Nsc663975

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NN=C(O1)NC2=CC=CC=C2
InChI
InChI=1S/C9H9N3O/c1-7-11-12-9(13-7)10-8-5-3-2-4-6-8/h2-6H,1H3,(H,10,12)
InChIKey
SHLMUYASEZEYLV-UHFFFAOYSA-N
Compound name
5-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

175.07455 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.2
[M+Na]+ 198.063768 143.1
[M-H]- 174.067274 139.4
[M+NH4]+ 193.108373 151.8
[M+K]+ 214.037708 141.7
[M+H-H2O]+ 158.071810 126.1
[M+HCOO]- 220.072751 158.8
[M+CH3COO]- 234.088401 148.2
[M+Na-2H]- 196.049216 142.8
[M]+ 175.07400142 135.0
[M]- 175.07509858 135.0
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