CID 126961411

2096992-27-5

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)CC(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-12-5-11(6-12,7-12)4-8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
NFLPEALSACZHNY-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 183.8
[M+Na]+ 264.120628 184.1
[M-H]- 240.124134 184.9
[M+NH4]+ 259.165233 186.4
[M+K]+ 280.094568 190.9
[M+H-H2O]+ 224.128670 169.8
[M+HCOO]- 286.129611 192.6
[M+CH3COO]- 300.145261 216.9
[M+Na-2H]- 262.106076 186.6
[M]+ 241.13086142 208.6
[M]- 241.13195858 208.6
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