CID 61659032

2059949-49-2

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C)(C)C1=CC=C(C(=O)N1)CN
InChI
InChI=1S/C10H16N2O/c1-10(2,3)8-5-4-7(6-11)9(13)12-8/h4-5H,6,11H2,1-3H3,(H,12,13)
InChIKey
ILNJVVJBDBJDNL-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.4
[M+Na]+ 203.11549 151.9
[M+NH4]+ 198.16009 147.6
[M+K]+ 219.08943 146.8
[M-H]- 179.11899 141.2
[M+Na-2H]- 201.10094 145.9
[M]+ 180.12572 142.1
[M]- 180.12682 142.1
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.