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]+ 181.133546 140.9
[M+Na]+ 203.115488 149.3
[M-H]- 179.118994 141.9
[M+NH4]+ 198.160093 159.1
[M+K]+ 219.089428 146.0
[M+H-H2O]+ 163.123530 135.2
[M+HCOO]- 225.124471 161.5
[M+CH3COO]- 239.140121 181.7
[M+Na-2H]- 201.100936 146.5
[M]+ 180.12572142 139.0
[M]- 180.12681858 139.0
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.