CID 167721496

917086-22-7

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-9(11(15)16)8-10-6-5-7-14(10)12(17)18-13(2,3)4/h10H,1,5-8H2,2-4H3,(H,15,16)/t10-/m0/s1
InChIKey
RUZJUDDPWZVXCB-JTQLQIEISA-N
Compound name
2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 160.6
[M+Na]+ 278.136278 165.2
[M-H]- 254.139784 160.9
[M+NH4]+ 273.180883 177.3
[M+K]+ 294.110218 164.3
[M+H-H2O]+ 238.144320 155.2
[M+HCOO]- 300.145261 175.9
[M+CH3COO]- 314.160911 191.8
[M+Na-2H]- 276.121726 159.0
[M]+ 255.14651142 160.0
[M]- 255.14760858 160.0
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.