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-chloro-3-pyridinyl)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]+ 213.115306 148.0
[M+Na]+ 235.097248 155.1
[M-H]- 211.100754 149.8
[M+NH4]+ 230.141853 166.2
[M+K]+ 251.071188 151.0
[M+H-H2O]+ 195.105290 141.6
[M+HCOO]- 257.106231 166.0
[M+CH3COO]- 271.121881 190.6
[M+Na-2H]- 233.082696 153.1
[M]+ 212.10748142 150.1
[M]- 212.10857858 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.