CID 6504395

(e)-alpha-ethylidenepiperidine-1-acetaldehyde

Structural Information

Molecular Formula
C9H15NO
SMILES
C/C=C(\C=O)/N1CCCCC1
InChI
InChI=1S/C9H15NO/c1-2-9(8-11)10-6-4-3-5-7-10/h2,8H,3-7H2,1H3/b9-2+
InChIKey
QATJQKZNFROBDS-XNWCZRBMSA-N
Compound name
(E)-2-piperidin-1-ylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 135.1
[M+Na]+ 176.104588 139.8
[M-H]- 152.108094 136.2
[M+NH4]+ 171.149193 154.5
[M+K]+ 192.078528 138.4
[M+H-H2O]+ 136.112630 128.7
[M+HCOO]- 198.113571 153.7
[M+CH3COO]- 212.129221 175.5
[M+Na-2H]- 174.090036 139.1
[M]+ 153.11482142 130.6
[M]- 153.11591858 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.