CID 155822528

2503203-99-2

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)NC1C2CC3C1C3(C2)C(=O)O
InChI
InChI=1S/C13H19NO4/c1-12(2,3)18-11(17)14-9-6-4-7-8(9)13(7,5-6)10(15)16/h6-9H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
DZPVZQRVQVWCJG-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 156.4
[M+Na]+ 276.12063 164.0
[M-H]- 252.12413 157.3
[M+NH4]+ 271.16523 178.7
[M+K]+ 292.09457 160.1
[M+H-H2O]+ 236.12867 156.1
[M+HCOO]- 298.12961 169.5
[M+CH3COO]- 312.14526 200.2
[M+Na-2H]- 274.10608 161.7
[M]+ 253.13086 165.8
[M]- 253.13196 165.8
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.