CID 165664723

En300-37429982

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C12CCC2)CC(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10-7-9(8-11(16)17)14(10)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10-/m1/s1
InChIKey
UIVLTOFUGAORNA-NXEZZACHSA-N
Compound name
2-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.0
[M+Na]+ 292.15194 164.6
[M-H]- 268.15544 167.1
[M+NH4]+ 287.19654 168.0
[M+K]+ 308.12588 169.8
[M+H-H2O]+ 252.15998 149.6
[M+HCOO]- 314.16092 177.4
[M+CH3COO]- 328.17657 207.7
[M+Na-2H]- 290.13739 164.7
[M]+ 269.16217 179.2
[M]- 269.16327 179.2
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.