CID 17604967

946745-07-9

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC=CC=C1C2=NC(=NO2)CN
InChI
InChI=1S/C10H11N3O/c1-7-4-2-3-5-8(7)10-12-9(6-11)13-14-10/h2-5H,6,11H2,1H3
InChIKey
WTVJKHOCADMMRO-UHFFFAOYSA-N
Compound name
[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.7
[M+Na]+ 212.079428 149.2
[M-H]- 188.082934 144.6
[M+NH4]+ 207.124033 156.8
[M+K]+ 228.053368 147.0
[M+H-H2O]+ 172.087470 131.7
[M+HCOO]- 234.088411 163.3
[M+CH3COO]- 248.104061 153.3
[M+Na-2H]- 210.064876 146.0
[M]+ 189.08966142 140.3
[M]- 189.09075858 140.3
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

No patent data available for this compound.