CID 115022759

2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1(CC1)C2=NN=C(O2)Br
InChI
InChI=1S/C6H7BrN2O/c1-6(2-3-6)4-8-9-5(7)10-4/h2-3H2,1H3
InChIKey
KKPOQSVRZUFGMM-UHFFFAOYSA-N
Compound name
2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 137.0
[M+Na]+ 224.96340 152.5
[M-H]- 200.96690 145.8
[M+NH4]+ 220.00800 155.2
[M+K]+ 240.93734 143.6
[M+H-H2O]+ 184.97144 136.9
[M+HCOO]- 246.97238 157.8
[M+CH3COO]- 260.98803 153.1
[M+Na-2H]- 222.94885 146.3
[M]+ 201.97363 159.1
[M]- 201.97473 159.1
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.