CID 62942418

1-[(3-aminophenyl)methyl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C11H16N2O
SMILES
C1CN(CC1O)CC2=CC(=CC=C2)N
InChI
InChI=1S/C11H16N2O/c12-10-3-1-2-9(6-10)7-13-5-4-11(14)8-13/h1-3,6,11,14H,4-5,7-8,12H2
InChIKey
QIAXXHVLJQQATR-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 142.7
[M+Na]+ 215.11549 149.0
[M-H]- 191.11899 146.2
[M+NH4]+ 210.16009 161.5
[M+K]+ 231.08943 145.5
[M+H-H2O]+ 175.12353 135.6
[M+HCOO]- 237.12447 163.8
[M+CH3COO]- 251.14012 182.1
[M+Na-2H]- 213.10094 145.4
[M]+ 192.12572 137.8
[M]- 192.12682 137.8
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