CID 132316044

2137882-84-7

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC(C)(C)OC(=O)NCC1=CC(=C2N1CCCC2)C(=O)O
InChI
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-9-10-8-11(13(18)19)12-6-4-5-7-17(10)12/h8H,4-7,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
UZHGBBFYYDHCEV-UHFFFAOYSA-N
Compound name
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.5
[M+Na]+ 317.14718 174.3
[M-H]- 293.15068 170.8
[M+NH4]+ 312.19178 185.5
[M+K]+ 333.12112 172.5
[M+H-H2O]+ 277.15522 163.4
[M+HCOO]- 339.15616 185.6
[M+CH3COO]- 353.17181 201.7
[M+Na-2H]- 315.13263 171.0
[M]+ 294.15741 169.3
[M]- 294.15851 169.3
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.