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]+ 176.08183 134.2
[M+Na]+ 198.06377 143.1
[M-H]- 174.06727 139.4
[M+NH4]+ 193.10837 151.8
[M+K]+ 214.03771 141.7
[M+H-H2O]+ 158.07181 126.1
[M+HCOO]- 220.07275 158.8
[M+CH3COO]- 234.08840 148.2
[M+Na-2H]- 196.04922 142.8
[M]+ 175.07400 135.0
[M]- 175.07510 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