CID 145867513

6-({[(tert-butoxy)carbonyl]amino}methyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NCC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-9-4-14(5-9)6-10(7-14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
YXHDQQBKAURERB-UHFFFAOYSA-N
Compound name
6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 177.0
[M+Na]+ 292.15194 174.3
[M+NH4]+ 287.19654 175.5
[M+K]+ 308.12588 173.2
[M-H]- 268.15544 170.9
[M+Na-2H]- 290.13739 173.5
[M]+ 269.16217 172.4
[M]- 269.16327 172.4
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.