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

255
Patents

176.13135 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe