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

20
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.2
[M+Na]+ 180.099498 140.9
[M-H]- 156.103004 137.8
[M+NH4]+ 175.144103 159.0
[M+K]+ 196.073438 140.4
[M+H-H2O]+ 140.107540 130.4
[M+HCOO]- 202.108481 157.8
[M+CH3COO]- 216.124131 176.1
[M+Na-2H]- 178.084946 138.8
[M]+ 157.10973142 132.4
[M]- 157.11082858 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