CID 12535228

1-methylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H13NO
SMILES
CN1CCC(CC1)C=O
InChI
InChI=1S/C7H13NO/c1-8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H3
InChIKey
LKIYWJKEOOFVCV-UHFFFAOYSA-N
Compound name
1-methylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

760
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.4
[M+Na]+ 150.088938 132.7
[M-H]- 126.092444 128.1
[M+NH4]+ 145.133543 147.2
[M+K]+ 166.062878 132.0
[M+H-H2O]+ 110.096980 120.4
[M+HCOO]- 172.097921 146.4
[M+CH3COO]- 186.113571 171.3
[M+Na-2H]- 148.074386 132.0
[M]+ 127.09917142 122.9
[M]- 127.10026858 122.9
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

patents stripe