CID 138008219

2243512-38-9

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]3C[C@@]3(C2)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-8-4-5-10(15)9-7-14(9,6-8)11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)/t8-,9+,10+,14-/m1/s1
InChIKey
RJYABXMDINNLBZ-MAGOMRGPSA-N
Compound name
(1S,2R,4S,6R)-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azatricyclo[4.2.1.02,4]nonane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 167.9
[M+Na]+ 290.13628 176.2
[M-H]- 266.13978 169.2
[M+NH4]+ 285.18088 184.0
[M+K]+ 306.11022 172.8
[M+H-H2O]+ 250.14432 164.3
[M+HCOO]- 312.14526 179.0
[M+CH3COO]- 326.16091 197.9
[M+Na-2H]- 288.12173 171.0
[M]+ 267.14651 171.5
[M]- 267.14761 171.5
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

No patent data available for this compound.