CID 64514275

1483802-58-9

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1CCC(C1)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8-5-6-12(7-8,9(14)15)13-10(16)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
BJFXWWXEILERJS-UHFFFAOYSA-N
Compound name
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 161.5
[M+NH4]+ 261.18088 162.7
[M+K]+ 282.11022 159.5
[M-H]- 242.13978 154.1
[M+Na-2H]- 264.12173 158.3
[M]+ 243.14651 155.9
[M]- 243.14761 155.9
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

patents stripe