CID 69312568

1823863-92-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13(9(15)16)7-12(8-13)5-4-6-12/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZKKOIGGBKLNBKZ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

255.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 162.3
[M+Na]+ 278.136278 163.5
[M-H]- 254.139784 165.8
[M+NH4]+ 273.180883 168.5
[M+K]+ 294.110218 168.7
[M+H-H2O]+ 238.144320 149.7
[M+HCOO]- 300.145261 176.0
[M+CH3COO]- 314.160911 203.7
[M+Na-2H]- 276.121726 165.1
[M]+ 255.14651142 177.4
[M]- 255.14760858 177.4
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

patents stripe