CID 105441418

5-tert-butyl-2-chloropyridin-3-amine

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CC(C)(C)C1=CC(=C(N=C1)Cl)N
InChI
InChI=1S/C9H13ClN2/c1-9(2,3)6-4-7(11)8(10)12-5-6/h4-5H,11H2,1-3H3
InChIKey
UEMZSYDSEGNHKN-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-chloropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.07672 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 139.8
[M+Na]+ 207.06594 149.6
[M-H]- 183.06944 142.2
[M+NH4]+ 202.11054 159.5
[M+K]+ 223.03988 145.6
[M+H-H2O]+ 167.07398 134.7
[M+HCOO]- 229.07492 157.2
[M+CH3COO]- 243.09057 183.9
[M+Na-2H]- 205.05139 145.9
[M]+ 184.07617 140.5
[M]- 184.07727 140.5
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

patents stripe