CID 77718677

182292-11-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC2CCC1C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-7-8-4-5-9(10)6-8/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
OJSPXNIKKISMPL-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 167.0
[M+Na]+ 292.151938 170.2
[M-H]- 268.155444 167.8
[M+NH4]+ 287.196543 187.3
[M+K]+ 308.125878 169.4
[M+H-H2O]+ 252.159980 163.2
[M+HCOO]- 314.160921 182.6
[M+CH3COO]- 328.176571 197.4
[M+Na-2H]- 290.137386 166.3
[M]+ 269.16217142 166.1
[M]- 269.16326858 166.1
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