CID 137698508

1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde

Structural Information

Molecular Formula
C16H23NO
SMILES
CC(C)(C)C1(CCN(C1)CC2=CC=CC=C2)C=O
InChI
InChI=1S/C16H23NO/c1-15(2,3)16(13-18)9-10-17(12-16)11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKey
COXVEWWSGNCYLY-UHFFFAOYSA-N
Compound name
1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.9
[M+Na]+ 268.16718 166.2
[M-H]- 244.17068 164.8
[M+NH4]+ 263.21178 179.8
[M+K]+ 284.14112 163.0
[M+H-H2O]+ 228.17522 153.2
[M+HCOO]- 290.17616 179.1
[M+CH3COO]- 304.19181 192.8
[M+Na-2H]- 266.15263 163.6
[M]+ 245.17741 159.0
[M]- 245.17851 159.0
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

No patent data available for this compound.