CID 139022440

2344685-51-2

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)C#CC1(CCCC1)N
InChI
InChI=1S/C9H13NO2/c1-12-8(11)4-7-9(10)5-2-3-6-9/h2-3,5-6,10H2,1H3
InChIKey
BHXDOYRKGZJBDS-UHFFFAOYSA-N
Compound name
methyl 3-(1-aminocyclopentyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 140.4
[M+Na]+ 190.083858 149.2
[M-H]- 166.087364 142.0
[M+NH4]+ 185.128463 161.4
[M+K]+ 206.057798 145.5
[M+H-H2O]+ 150.091900 129.5
[M+HCOO]- 212.092841 157.2
[M+CH3COO]- 226.108491 184.8
[M+Na-2H]- 188.069306 142.8
[M]+ 167.09409142 132.3
[M]- 167.09518858 132.3
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