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

8
Patents

192.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 142.7
[M+Na]+ 215.115488 149.0
[M-H]- 191.118994 146.2
[M+NH4]+ 210.160093 161.5
[M+K]+ 231.089428 145.5
[M+H-H2O]+ 175.123530 135.6
[M+HCOO]- 237.124471 163.8
[M+CH3COO]- 251.140121 182.1
[M+Na-2H]- 213.100936 145.4
[M]+ 192.12572142 137.8
[M]- 192.12681858 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