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]+ 264.159406 159.0
[M+Na]+ 286.141348 160.6
[M-H]- 262.144854 154.4
[M+NH4]+ 281.185953 181.9
[M+K]+ 302.115288 156.7
[M+H-H2O]+ 246.149390 152.5
[M+HCOO]- 308.150331 161.7
[M+CH3COO]- 322.165981 166.2
[M+Na-2H]- 284.126796 164.0
[M]+ 263.15158142 156.7
[M]- 263.15267858 156.7
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.