CID 3047647

63867-76-5

Structural Information

Molecular Formula
C9H17N
SMILES
CC1=CCCC(N1C)(C)C
InChI
InChI=1S/C9H17N/c1-8-6-5-7-9(2,3)10(8)4/h6H,5,7H2,1-4H3
InChIKey
JNOZNCBBHYHMBY-UHFFFAOYSA-N
Compound name
1,2,2,6-tetramethyl-3,4-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 129.3
[M+Na]+ 162.12532 137.5
[M-H]- 138.12882 131.9
[M+NH4]+ 157.16992 152.3
[M+K]+ 178.09926 136.5
[M+H-H2O]+ 122.13336 124.3
[M+HCOO]- 184.13430 149.8
[M+CH3COO]- 198.14995 176.6
[M+Na-2H]- 160.11077 135.5
[M]+ 139.13555 127.9
[M]- 139.13665 127.9
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.