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 163.9
[M+Na]+ 290.13628 169.5
[M-H]- 266.13978 163.7
[M+NH4]+ 285.18088 182.0
[M+K]+ 306.11022 167.9
[M+H-H2O]+ 250.14432 159.0
[M+HCOO]- 312.14526 177.6
[M+CH3COO]- 326.16091 195.1
[M+Na-2H]- 288.12173 165.3
[M]+ 267.14651 164.7
[M]- 267.14761 164.7
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.