CID 19697699

791563-61-6

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(=O)N1CCC(CC1)CCN
InChI
InChI=1S/C9H18N2O/c1-8(12)11-6-3-9(2-5-10)4-7-11/h9H,2-7,10H2,1H3
InChIKey
KCVCXSGVHBGIHR-UHFFFAOYSA-N
Compound name
1-[4-(2-aminoethyl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

170.1419 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 140.8
[M+Na]+ 193.13112 145.3
[M-H]- 169.13462 141.6
[M+NH4]+ 188.17572 159.3
[M+K]+ 209.10506 144.0
[M+H-H2O]+ 153.13916 134.1
[M+HCOO]- 215.14010 159.5
[M+CH3COO]- 229.15575 181.7
[M+Na-2H]- 191.11657 143.3
[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