CID 145913148

2378507-26-5

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1C=C(C2)CC(=O)O
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-10-4-5-11(15)7-9(6-10)8-12(16)17/h6,10-11H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKey
OAAJZIMCSCPKAF-UHFFFAOYSA-N
Compound name
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 161.4
[M+Na]+ 290.13628 168.5
[M+NH4]+ 285.18088 167.2
[M+K]+ 306.11022 167.4
[M-H]- 266.13978 158.5
[M+Na-2H]- 288.12173 160.5
[M]+ 267.14651 161.1
[M]- 267.14761 161.1
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.