CID 61287733

89599-72-4

Structural Information

Molecular Formula
C6H14BrN
SMILES
CC(C)N(C)CCBr
InChI
InChI=1S/C6H14BrN/c1-6(2)8(3)5-4-7/h6H,4-5H2,1-3H3
InChIKey
ZPJSRPLSQZWOOO-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03824 134.5
[M+Na]+ 202.02018 144.3
[M-H]- 178.02368 138.8
[M+NH4]+ 197.06478 158.4
[M+K]+ 217.99412 135.6
[M+H-H2O]+ 162.02822 134.4
[M+HCOO]- 224.02916 156.1
[M+CH3COO]- 238.04481 186.8
[M+Na-2H]- 200.00563 140.7
[M]+ 179.03041 153.7
[M]- 179.03151 153.7
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.