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]+ 268.154336 167.9
[M+Na]+ 290.136278 176.2
[M-H]- 266.139784 169.2
[M+NH4]+ 285.180883 184.0
[M+K]+ 306.110218 172.8
[M+H-H2O]+ 250.144320 164.3
[M+HCOO]- 312.145261 179.0
[M+CH3COO]- 326.160911 197.9
[M+Na-2H]- 288.121726 171.0
[M]+ 267.14651142 171.5
[M]- 267.14760858 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.