CID 57446164

Methyl 2-(1-aminocyclopentyl)acetate

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)CC1(CCCC1)N
InChI
InChI=1S/C8H15NO2/c1-11-7(10)6-8(9)4-2-3-5-8/h2-6,9H2,1H3
InChIKey
PVGZHBMQHIXPSF-UHFFFAOYSA-N
Compound name
methyl 2-(1-aminocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.2
[M+Na]+ 180.09950 140.9
[M-H]- 156.10300 137.8
[M+NH4]+ 175.14410 159.0
[M+K]+ 196.07344 140.4
[M+H-H2O]+ 140.10754 130.4
[M+HCOO]- 202.10848 157.8
[M+CH3COO]- 216.12413 176.1
[M+Na-2H]- 178.08495 138.8
[M]+ 157.10973 132.4
[M]- 157.11083 132.4
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