CID 776852

4-(pyrrolidin-1-ylmethyl)aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CCN(C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C11H16N2/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
SFEAIUCOZWDYMJ-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

504
Patents

176.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.1
[M+Na]+ 199.120568 145.0
[M-H]- 175.124074 143.5
[M+NH4]+ 194.165173 159.0
[M+K]+ 215.094508 141.9
[M+H-H2O]+ 159.128610 131.6
[M+HCOO]- 221.129551 161.6
[M+CH3COO]- 235.145201 181.5
[M+Na-2H]- 197.106016 143.0
[M]+ 176.13080142 134.2
[M]- 176.13189858 134.2
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