CID 13362454

93101-61-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OCC2=CCN(C2)C)O
InChI
InChI=1S/C16H23NO3/c1-3-9-16(19,14-6-4-5-7-14)15(18)20-12-13-8-10-17(2)11-13/h8,14,19H,4-7,10-12H2,1-2H3
InChIKey
DUCFXMMKJUGMPQ-UHFFFAOYSA-N
Compound name
(1-methyl-2,5-dihydropyrrol-3-yl)methyl 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 170.7
[M+Na]+ 300.157018 177.2
[M-H]- 276.160524 171.9
[M+NH4]+ 295.201623 185.8
[M+K]+ 316.130958 172.2
[M+H-H2O]+ 260.165060 157.8
[M+HCOO]- 322.166001 181.9
[M+CH3COO]- 336.181651 200.7
[M+Na-2H]- 298.142466 168.0
[M]+ 277.16725142 163.2
[M]- 277.16834858 163.2
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

No patent data available for this compound.