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

6
Patents

201.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.8
[M+Na]+ 224.079428 154.7
[M-H]- 200.082934 152.3
[M+NH4]+ 219.124033 155.6
[M+K]+ 240.053368 151.1
[M+H-H2O]+ 184.087470 135.5
[M+HCOO]- 246.088411 167.5
[M+CH3COO]- 260.104061 157.0
[M+Na-2H]- 222.064876 149.7
[M]+ 201.08966142 145.8
[M]- 201.09075858 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