CID 11469123

56475-87-7

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)N1CCCC=C1
InChI
InChI=1S/C7H11NO2/c1-10-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3
InChIKey
UEYXEWCMUHQOAS-UHFFFAOYSA-N
Compound name
methyl 3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.5
[M+Na]+ 164.06820 134.9
[M-H]- 140.07170 130.4
[M+NH4]+ 159.11280 148.6
[M+K]+ 180.04214 134.8
[M+H-H2O]+ 124.07624 122.3
[M+HCOO]- 186.07718 149.3
[M+CH3COO]- 200.09283 171.3
[M+Na-2H]- 162.05365 134.7
[M]+ 141.07843 126.8
[M]- 141.07953 126.8
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