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 153.8
[M-H]- 206.07420 150.6
[M+NH4]+ 225.11530 166.3
[M+K]+ 246.04464 149.2
[M+H-H2O]+ 190.07874 140.4
[M+HCOO]- 252.07968 166.8
[M+CH3COO]- 266.09533 191.3
[M+Na-2H]- 228.05615 150.9
[M]+ 207.08093 148.4
[M]- 207.08203 148.4
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.