CID 17999087

(1-phenylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CN(CC1CO)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2
InChIKey
GJFYMULJMJYQAD-UHFFFAOYSA-N
Compound name
(1-phenylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.0
[M+Na]+ 200.10459 145.3
[M-H]- 176.10809 142.6
[M+NH4]+ 195.14919 158.7
[M+K]+ 216.07853 142.3
[M+H-H2O]+ 160.11263 132.0
[M+HCOO]- 222.11357 159.7
[M+CH3COO]- 236.12922 176.8
[M+Na-2H]- 198.09004 142.9
[M]+ 177.11482 135.4
[M]- 177.11592 135.4
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