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 154.0
[M+Na]+ 252.13589 161.6
[M-H]- 228.13939 155.8
[M+NH4]+ 247.18049 169.8
[M+K]+ 268.10983 155.3
[M+H-H2O]+ 212.14393 139.6
[M+HCOO]- 274.14487 169.2
[M+CH3COO]- 288.16052 194.9
[M+Na-2H]- 250.12134 156.1
[M]+ 229.14612 147.0
[M]- 229.14722 147.0
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.