CID 60042028

3-amino-1-tert-butylpiperidin-2-one

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)(C)N1CCCC(C1=O)N
InChI
InChI=1S/C9H18N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h7H,4-6,10H2,1-3H3
InChIKey
PXGBGPDRDABIBM-UHFFFAOYSA-N
Compound name
3-amino-1-tert-butylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.1419 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.1
[M+Na]+ 193.131118 146.3
[M-H]- 169.134624 141.7
[M+NH4]+ 188.175723 159.2
[M+K]+ 209.105058 145.0
[M+H-H2O]+ 153.139160 134.5
[M+HCOO]- 215.140101 158.3
[M+CH3COO]- 229.155751 182.3
[M+Na-2H]- 191.116566 143.9
[M]+ 170.14135142 135.5
[M]- 170.14244858 135.5
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