CID 57087702

4-(aminomethyl)-n-propylaniline

Structural Information

Molecular Formula
C10H16N2
SMILES
CCCNC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H16N2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKey
SQFBJLJLNYEIJL-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 136.4
[M+Na]+ 187.120568 142.6
[M-H]- 163.124074 139.4
[M+NH4]+ 182.165173 156.5
[M+K]+ 203.094508 140.0
[M+H-H2O]+ 147.128610 130.1
[M+HCOO]- 209.129551 162.0
[M+CH3COO]- 223.145201 184.6
[M+Na-2H]- 185.106016 142.9
[M]+ 164.13080142 134.5
[M]- 164.13189858 134.5
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