CID 115537188

Tert-butyl (2s)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C16H29NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1CC2CCCCC2
InChI
InChI=1S/C16H29NO2/c1-16(2,3)19-15(18)14-10-7-11-17(14)12-13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKey
KDSHLMFXCWLZHK-AWEZNQCLSA-N
Compound name
tert-butyl (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.227096 169.1
[M+Na]+ 290.209038 171.0
[M-H]- 266.212544 172.5
[M+NH4]+ 285.253643 185.6
[M+K]+ 306.182978 169.2
[M+H-H2O]+ 250.217080 161.8
[M+HCOO]- 312.218021 183.0
[M+CH3COO]- 326.233671 196.6
[M+Na-2H]- 288.194486 167.5
[M]+ 267.21927142 164.3
[M]- 267.22036858 164.3
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.