CID 1096407

3-(pyrrolidin-1-ylmethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

223
Patents

176.13135 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe