CID 231225

Methyl 1-amino-1-cyclopentanecarboxylate (h-ac5c-ome)

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC(=O)C1(CCCC1)N
InChI
InChI=1S/C7H13NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3
InChIKey
VLNNACMZTDZCFH-UHFFFAOYSA-N
Compound name
methyl 1-aminocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

641
Patents

143.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.6
[M+Na]+ 166.083858 136.7
[M-H]- 142.087364 133.5
[M+NH4]+ 161.128463 155.0
[M+K]+ 182.057798 136.5
[M+H-H2O]+ 126.091900 126.1
[M+HCOO]- 188.092841 153.6
[M+CH3COO]- 202.108491 173.1
[M+Na-2H]- 164.069306 134.8
[M]+ 143.09409142 127.5
[M]- 143.09518858 127.5
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