CID 3011567

Methyl 3-(2-cyclopentyl-1h-imidazol-4-yl)propanoate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
COC(=O)CCC1=CN=C(N1)C2CCCC2
InChI
InChI=1S/C12H18N2O2/c1-16-11(15)7-6-10-8-13-12(14-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKey
LSHFJHXPZHGWON-UHFFFAOYSA-N
Compound name
methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 152.8
[M+Na]+ 245.12605 158.3
[M-H]- 221.12955 155.1
[M+NH4]+ 240.17065 170.9
[M+K]+ 261.09999 156.0
[M+H-H2O]+ 205.13409 145.0
[M+HCOO]- 267.13503 172.0
[M+CH3COO]- 281.15068 184.3
[M+Na-2H]- 243.11150 152.3
[M]+ 222.13628 150.8
[M]- 222.13738 150.8
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

No patent data available for this compound.