CID 22395248

1-azido-3-bromopropane

Structural Information

Molecular Formula
C3H6BrN3
SMILES
C(CN=[N+]=[N-])CBr
InChI
InChI=1S/C3H6BrN3/c4-2-1-3-6-7-5/h1-3H2
InChIKey
DGPHKOJLPWYXSK-UHFFFAOYSA-N
Compound name
1-azido-3-bromopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

162.9745 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.98178 124.6
[M+Na]+ 185.96372 135.4
[M-H]- 161.96722 130.4
[M+NH4]+ 181.00832 148.8
[M+K]+ 201.93766 121.8
[M+H-H2O]+ 145.97176 128.0
[M+HCOO]- 207.97270 153.1
[M+CH3COO]- 221.98835 179.2
[M+Na-2H]- 183.94917 136.9
[M]+ 162.97395 141.8
[M]- 162.97505 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe