CID 10727173

(r)-tert-butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1CC#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKey
GSNDDHMLFYORQI-SECBINFHSA-N
Compound name
tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

210.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 148.5
[M+Na]+ 233.12605 156.4
[M+NH4]+ 228.17065 151.6
[M+K]+ 249.09999 150.9
[M-H]- 209.12955 140.3
[M+Na-2H]- 231.11150 148.6
[M]+ 210.13628 146.2
[M]- 210.13738 146.2
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

patents stripe