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

11
Patents

146.96835 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97563 114.0
[M+Na]+ 169.95757 124.1
[M-H]- 145.96107 117.7
[M+NH4]+ 165.00217 131.0
[M+K]+ 185.93151 116.5
[M+H-H2O]+ 129.96561 110.4
[M+HCOO]- 191.96655 132.4
[M+CH3COO]- 205.98220 172.7
[M+Na-2H]- 167.94302 123.3
[M]+ 146.96780 136.1
[M]- 146.96890 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