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]+ 171.14918 140.1
[M+Na]+ 193.13112 146.3
[M-H]- 169.13462 141.7
[M+NH4]+ 188.17572 159.2
[M+K]+ 209.10506 145.0
[M+H-H2O]+ 153.13916 134.5
[M+HCOO]- 215.14010 158.3
[M+CH3COO]- 229.15575 182.3
[M+Na-2H]- 191.11657 143.9
[M]+ 170.14135 135.5
[M]- 170.14245 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