CID 134817328

2135339-94-3

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCCC1(CCCN1CC(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H29NO2/c1-6-7-9-15(5)10-8-11-16(15)12-13(17)18-14(2,3)4/h6-12H2,1-5H3
InChIKey
CRRAZWQMTUUHPR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-butyl-2-methylpyrrolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.227106 164.9
[M+Na]+ 278.209048 170.0
[M-H]- 254.212554 166.3
[M+NH4]+ 273.253653 184.7
[M+K]+ 294.182988 168.9
[M+H-H2O]+ 238.217090 159.7
[M+HCOO]- 300.218031 182.1
[M+CH3COO]- 314.233681 196.5
[M+Na-2H]- 276.194496 166.1
[M]+ 255.21928142 167.0
[M]- 255.22037858 167.0
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.