CID 12676682

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

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NOC(=N1)C2=CC=CC=C2N
InChI
InChI=1S/C9H9N3O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3
InChIKey
PENHPXCQTHIVKF-UHFFFAOYSA-N
Compound name
2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

175.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.0
[M+Na]+ 198.063768 145.0
[M-H]- 174.067274 140.2
[M+NH4]+ 193.108373 152.8
[M+K]+ 214.037708 143.1
[M+H-H2O]+ 158.071810 127.3
[M+HCOO]- 220.072751 159.0
[M+CH3COO]- 234.088401 149.2
[M+Na-2H]- 196.049216 141.9
[M]+ 175.07400142 135.3
[M]- 175.07509858 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

No literature data available for this compound.

Patent stripe

patents stripe