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]+ 210.04286 142.5
[M+Na]+ 232.02480 151.7
[M-H]- 208.02830 146.9
[M+NH4]+ 227.06940 159.1
[M+K]+ 247.99874 148.6
[M+H-H2O]+ 192.03284 134.7
[M+HCOO]- 254.03378 160.6
[M+CH3COO]- 268.04943 155.5
[M+Na-2H]- 230.01025 148.1
[M]+ 209.03503 143.6
[M]- 209.03613 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.