CID 49757942

2825005-78-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-8-14(11-18)13-6-4-12(10-17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
InChIKey
KEPYUGLRWGHYEC-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(aminomethyl)phenyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.5
[M+Na]+ 299.17300 176.5
[M+NH4]+ 294.21760 174.1
[M+K]+ 315.14694 173.4
[M-H]- 275.17650 169.4
[M+Na-2H]- 297.15845 171.9
[M]+ 276.18323 169.0
[M]- 276.18433 169.0
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

patents stripe