CID 15637

1750-78-3

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=CC=CC=C1C2=NN=C(O2)N
InChI
InChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKey
FOBZVVKLLZAFGN-UHFFFAOYSA-N
Compound name
5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

175.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.0
[M+Na]+ 198.06377 145.0
[M-H]- 174.06727 140.2
[M+NH4]+ 193.10837 152.8
[M+K]+ 214.03771 143.1
[M+H-H2O]+ 158.07181 127.3
[M+HCOO]- 220.07275 159.0
[M+CH3COO]- 234.08840 149.2
[M+Na-2H]- 196.04922 141.9
[M]+ 175.07400 135.3
[M]- 175.07510 135.3
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