CID 201477

Pyrrolidine, 1-(4-(benzyloxy)-2-butynyl)-

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CCN(C1)CC#CCOCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO/c1-2-8-15(9-3-1)14-17-13-7-6-12-16-10-4-5-11-16/h1-3,8-9H,4-5,10-14H2
InChIKey
APIKLEVPMDVPNN-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxybut-2-ynyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 157.5
[M+Na]+ 252.13589 168.7
[M+NH4]+ 247.18049 162.3
[M+K]+ 268.10983 159.1
[M-H]- 228.13939 152.3
[M+Na-2H]- 250.12134 160.9
[M]+ 229.14612 156.7
[M]- 229.14722 156.7
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.