CID 22278632

2-(1-benzylpyrrolidin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)(C1CCCN1CC2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3
InChIKey
FUNFYSOGTPDVRK-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrrolidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

219.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.0
[M+Na]+ 242.15153 158.4
[M-H]- 218.15503 156.4
[M+NH4]+ 237.19613 171.1
[M+K]+ 258.12547 155.1
[M+H-H2O]+ 202.15957 146.2
[M+HCOO]- 264.16051 171.1
[M+CH3COO]- 278.17616 186.2
[M+Na-2H]- 240.13698 156.1
[M]+ 219.16176 150.0
[M]- 219.16286 150.0
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