CID 14320508

(4-methoxyphenyl)(pyrrolidin-2-yl)methanol

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC=C(C=C1)C(C2CCCN2)O
InChI
InChI=1S/C12H17NO2/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11/h4-7,11-14H,2-3,8H2,1H3
InChIKey
CPOJMIWZUKSHFY-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.5
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 149.7
[M+NH4]+ 225.15975 165.1
[M+K]+ 246.08909 149.4
[M+H-H2O]+ 190.12319 140.6
[M+HCOO]- 252.12413 165.6
[M+CH3COO]- 266.13978 180.1
[M+Na-2H]- 228.10060 149.3
[M]+ 207.12538 143.2
[M]- 207.12648 143.2
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