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

16
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.0
[M+Na]+ 200.104588 145.3
[M-H]- 176.108094 142.6
[M+NH4]+ 195.149193 158.7
[M+K]+ 216.078528 142.3
[M+H-H2O]+ 160.112630 132.0
[M+HCOO]- 222.113571 159.7
[M+CH3COO]- 236.129221 176.8
[M+Na-2H]- 198.090036 142.9
[M]+ 177.11482142 135.4
[M]- 177.11591858 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