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]+ 254.138686 156.4
[M+Na]+ 276.120628 164.0
[M-H]- 252.124134 157.3
[M+NH4]+ 271.165233 178.7
[M+K]+ 292.094568 160.1
[M+H-H2O]+ 236.128670 156.1
[M+HCOO]- 298.129611 169.5
[M+CH3COO]- 312.145261 200.2
[M+Na-2H]- 274.106076 161.7
[M]+ 253.13086142 165.8
[M]- 253.13195858 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.