CID 47002421

4-(aminomethyl)-n-(2-methoxyethyl)aniline

Structural Information

Molecular Formula
C10H16N2O
SMILES
COCCNC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H16N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-8,11H2,1H3
InChIKey
SNWVYAKOXVAWFU-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 139.4
[M+Na]+ 203.11549 145.6
[M-H]- 179.11899 142.4
[M+NH4]+ 198.16009 158.8
[M+K]+ 219.08943 143.5
[M+H-H2O]+ 163.12353 132.8
[M+HCOO]- 225.12447 165.3
[M+CH3COO]- 239.14012 186.6
[M+Na-2H]- 201.10094 145.9
[M]+ 180.12572 139.0
[M]- 180.12682 139.0
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