CID 82673875

2567496-33-5

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CC(C)CCNCC1=CN=C(C=C1)Cl
InChI
InChI=1S/C11H17ClN2/c1-9(2)5-6-13-7-10-3-4-11(12)14-8-10/h3-4,8-9,13H,5-7H2,1-2H3
InChIKey
AZNDWCZHMNMFAY-UHFFFAOYSA-N
Compound name
N-[(6-chloropyridin-3-yl)methyl]-3-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11531 148.0
[M+Na]+ 235.09725 155.1
[M-H]- 211.10075 149.8
[M+NH4]+ 230.14185 166.2
[M+K]+ 251.07119 151.0
[M+H-H2O]+ 195.10529 141.6
[M+HCOO]- 257.10623 166.0
[M+CH3COO]- 271.12188 190.6
[M+Na-2H]- 233.08270 153.1
[M]+ 212.10748 150.1
[M]- 212.10858 150.1
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

No patent data available for this compound.