CID 947573

955964-45-1

Structural Information

Molecular Formula
C16H26N2O5
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-8-4-5-12(18)13(19)17-9-6-11(7-10-17)14(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKey
RDAQBVAZAMAEFV-LBPRGKRZSA-N
Compound name
1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19145 177.5
[M+Na]+ 349.17339 179.7
[M-H]- 325.17689 178.9
[M+NH4]+ 344.21799 189.5
[M+K]+ 365.14733 178.8
[M+H-H2O]+ 309.18143 170.4
[M+HCOO]- 371.18237 187.7
[M+CH3COO]- 385.19802 203.4
[M+Na-2H]- 347.15884 173.6
[M]+ 326.18362 173.5
[M]- 326.18472 173.5
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.