CID 28007

N-2,3-butadienyl-n-methyl-o-chlorobenzylamine hydrochloride

Structural Information

Molecular Formula
C12H14ClN
SMILES
CN(CC=C=C)CC1=CC=CC=C1Cl
InChI
InChI=1S/C12H14ClN/c1-3-4-9-14(2)10-11-7-5-6-8-12(11)13/h4-8H,1,9-10H2,2H3
InChIKey
XTVKUSJISVYVFR-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08148 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 145.9
[M+Na]+ 230.07070 159.6
[M+NH4]+ 225.11530 155.2
[M+K]+ 246.04464 150.8
[M-H]- 206.07420 149.4
[M+Na-2H]- 228.05615 153.6
[M]+ 207.08093 149.2
[M]- 207.08203 149.2
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.