CID 16769380

(3-{[butyl(ethyl)amino]methyl}phenyl)methanamine

Structural Information

Molecular Formula
C14H24N2
SMILES
CCCCN(CC)CC1=CC=CC(=C1)CN
InChI
InChI=1S/C14H24N2/c1-3-5-9-16(4-2)12-14-8-6-7-13(10-14)11-15/h6-8,10H,3-5,9,11-12,15H2,1-2H3
InChIKey
PCJUWWQVIRPNLZ-UHFFFAOYSA-N
Compound name
N-[[3-(aminomethyl)phenyl]methyl]-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.19395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 155.4
[M+Na]+ 243.18317 160.1
[M-H]- 219.18667 159.2
[M+NH4]+ 238.22777 173.9
[M+K]+ 259.15711 157.9
[M+H-H2O]+ 203.19121 148.1
[M+HCOO]- 265.19215 180.2
[M+CH3COO]- 279.20780 200.2
[M+Na-2H]- 241.16862 158.9
[M]+ 220.19340 156.3
[M]- 220.19450 156.3
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.