CID 64522

84635-32-5

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1CC(=O)N(C1)C2C3CC4CC2CC(C4)(C3)C(=O)O
InChI
InChI=1S/C15H21NO3/c17-12-2-1-3-16(12)13-10-4-9-5-11(13)8-15(6-9,7-10)14(18)19/h9-11,13H,1-8H2,(H,18,19)
InChIKey
YSDNZHLMWUXRNT-UHFFFAOYSA-N
Compound name
4-(2-oxopyrrolidin-1-yl)adamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 159.4
[M+Na]+ 286.14135 166.5
[M+NH4]+ 281.18595 170.6
[M+K]+ 302.11529 160.6
[M-H]- 262.14485 156.6
[M+Na-2H]- 284.12680 154.4
[M]+ 263.15158 159.4
[M]- 263.15268 159.4
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

No patent data available for this compound.