CID 146049958

2413875-97-3

Structural Information

Molecular Formula
C4H6BrN
SMILES
C1C(=CBr)CN1
InChI
InChI=1S/C4H6BrN/c5-1-4-2-6-3-4/h1,6H,2-3H2
InChIKey
WWHQGWSWJRVZCL-UHFFFAOYSA-N
Compound name
3-(bromomethylidene)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

146.96835 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.975626 114.0
[M+Na]+ 169.957568 124.1
[M-H]- 145.961074 117.7
[M+NH4]+ 165.002173 131.0
[M+K]+ 185.931508 116.5
[M+H-H2O]+ 129.965610 110.4
[M+HCOO]- 191.966551 132.4
[M+CH3COO]- 205.982201 172.7
[M+Na-2H]- 167.943016 123.3
[M]+ 146.96780142 136.1
[M]- 146.96889858 136.1
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

patents stripe