CID 50986419

142253-46-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CC#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3
InChIKey
IPLBXZOFLWOERN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

210.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 149.5
[M+Na]+ 233.126048 157.4
[M-H]- 209.129554 151.1
[M+NH4]+ 228.170653 167.0
[M+K]+ 249.099988 155.9
[M+H-H2O]+ 193.134090 136.9
[M+HCOO]- 255.135031 164.9
[M+CH3COO]- 269.150681 197.3
[M+Na-2H]- 231.111496 151.4
[M]+ 210.13628142 144.6
[M]- 210.13737858 144.6
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