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

10
Patents

276.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 168.2
[M+Na]+ 299.172998 173.3
[M-H]- 275.176504 172.8
[M+NH4]+ 294.217603 184.4
[M+K]+ 315.146938 170.6
[M+H-H2O]+ 259.181040 160.8
[M+HCOO]- 321.181981 187.0
[M+CH3COO]- 335.197631 200.3
[M+Na-2H]- 297.158446 168.5
[M]+ 276.18323142 166.3
[M]- 276.18432858 166.3
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

patents stripe