CID 39871602

6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-9-6-13(7-9)4-8(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
QFGQEEVKWSGRQJ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 159.6
[M+Na]+ 278.13628 160.5
[M-H]- 254.13978 162.9
[M+NH4]+ 273.18088 164.1
[M+K]+ 294.11022 166.0
[M+H-H2O]+ 238.14432 145.4
[M+HCOO]- 300.14526 173.3
[M+CH3COO]- 314.16091 205.1
[M+Na-2H]- 276.12173 160.8
[M]+ 255.14651 174.5
[M]- 255.14761 174.5
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