CID 205666

18454-96-1

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1=CC=C(C=C1)CCN2C=C(ON2)N
InChI
InChI=1S/C10H13N3O/c11-10-8-13(12-14-10)7-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2
InChIKey
JWVMKGHHJHPBDQ-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-2H-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 141.1
[M+Na]+ 214.09509 148.1
[M-H]- 190.09859 143.9
[M+NH4]+ 209.13969 157.0
[M+K]+ 230.06903 145.3
[M+H-H2O]+ 174.10313 133.0
[M+HCOO]- 236.10407 161.8
[M+CH3COO]- 250.11972 153.1
[M+Na-2H]- 212.08054 146.7
[M]+ 191.10532 138.0
[M]- 191.10642 138.0
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.