CID 17171979

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)aniline

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1CC1C2=NN=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C11H11N3O/c12-9-5-3-8(4-6-9)11-14-13-10(15-11)7-1-2-7/h3-7H,1-2,12H2
InChIKey
PPWGJWUINVPOFR-UHFFFAOYSA-N
Compound name
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.8
[M+Na]+ 224.07943 154.7
[M-H]- 200.08293 152.3
[M+NH4]+ 219.12403 155.6
[M+K]+ 240.05337 151.1
[M+H-H2O]+ 184.08747 135.5
[M+HCOO]- 246.08841 167.5
[M+CH3COO]- 260.10406 157.0
[M+Na-2H]- 222.06488 149.7
[M]+ 201.08966 145.8
[M]- 201.09076 145.8
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