CID 13275117

1021244-37-0

Structural Information

Molecular Formula
C12H18N2
SMILES
CN(CC1CCCN1)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-14(10-11-6-5-9-13-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKey
LKKBLTKKWIBCKH-UHFFFAOYSA-N
Compound name
N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.0
[M+Na]+ 213.13622 148.1
[M-H]- 189.13972 148.4
[M+NH4]+ 208.18082 163.1
[M+K]+ 229.11016 145.7
[M+H-H2O]+ 173.14426 136.0
[M+HCOO]- 235.14520 165.7
[M+CH3COO]- 249.16085 184.9
[M+Na-2H]- 211.12167 147.8
[M]+ 190.14645 139.4
[M]- 190.14755 139.4
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

No patent data available for this compound.