CID 19959052

150281-39-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C2CCNC2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-12-4-6-13(7-5-12)14-8-9-17-11-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKey
UIBFXLJQHUNGDD-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-pyrrolidin-3-ylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 168.2
[M+Na]+ 299.172998 171.8
[M-H]- 275.176504 171.4
[M+NH4]+ 294.217603 183.6
[M+K]+ 315.146938 168.6
[M+H-H2O]+ 259.181040 160.7
[M+HCOO]- 321.181981 186.1
[M+CH3COO]- 335.197631 197.2
[M+Na-2H]- 297.158446 169.7
[M]+ 276.18323142 165.0
[M]- 276.18432858 165.0
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