CID 43559095

(4-chlorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC(=CC=C1C(C2=NOC=N2)N)Cl
InChI
InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)8(11)9-12-5-14-13-9/h1-5,8H,11H2
InChIKey
ZJIAPWPWMLTBJI-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.03558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.042856 142.5
[M+Na]+ 232.024798 151.7
[M-H]- 208.028304 146.9
[M+NH4]+ 227.069403 159.1
[M+K]+ 247.998738 148.6
[M+H-H2O]+ 192.032840 134.7
[M+HCOO]- 254.033781 160.6
[M+CH3COO]- 268.049431 155.5
[M+Na-2H]- 230.010246 148.1
[M]+ 209.03503142 143.6
[M]- 209.03612858 143.6
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.