CID 24701581

1103343-56-1

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1CC2=C(C1)C=C(C=C2)C(=O)N3CC(CC3C(=O)O)O
InChI
InChI=1S/C15H17NO4/c17-12-7-13(15(19)20)16(8-12)14(18)11-5-4-9-2-1-3-10(9)6-11/h4-6,12-13,17H,1-3,7-8H2,(H,19,20)
InChIKey
UIOOTHCMLZKHPR-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 163.3
[M+Na]+ 298.10497 168.9
[M-H]- 274.10847 167.0
[M+NH4]+ 293.14957 181.0
[M+K]+ 314.07891 165.6
[M+H-H2O]+ 258.11301 157.5
[M+HCOO]- 320.11395 179.2
[M+CH3COO]- 334.12960 192.8
[M+Na-2H]- 296.09042 160.7
[M]+ 275.11520 159.9
[M]- 275.11630 159.9
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.