CID 58009944

1201186-86-8

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(CC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-12(8-13,5-7-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
MYRVWLDKDQQUCS-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

255.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.2
[M+Na]+ 278.13628 161.7
[M+NH4]+ 273.18088 166.9
[M+K]+ 294.11022 159.6
[M-H]- 254.13978 155.2
[M+Na-2H]- 276.12173 159.7
[M]+ 255.14651 157.5
[M]- 255.14761 157.5
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