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

505
Patents

176.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 140.3
[M+Na]+ 199.12057 151.6
[M+NH4]+ 194.16517 149.6
[M+K]+ 215.09451 146.3
[M-H]- 175.12407 144.5
[M+Na-2H]- 197.10602 147.7
[M]+ 176.13080 142.9
[M]- 176.13190 142.9
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