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]+ 181.133546 139.4
[M+Na]+ 203.115488 145.6
[M-H]- 179.118994 142.4
[M+NH4]+ 198.160093 158.8
[M+K]+ 219.089428 143.5
[M+H-H2O]+ 163.123530 132.8
[M+HCOO]- 225.124471 165.3
[M+CH3COO]- 239.140121 186.6
[M+Na-2H]- 201.100936 145.9
[M]+ 180.12572142 139.0
[M]- 180.12681858 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