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]+ 165.13863 136.4
[M+Na]+ 187.12057 142.6
[M-H]- 163.12407 139.4
[M+NH4]+ 182.16517 156.5
[M+K]+ 203.09451 140.0
[M+H-H2O]+ 147.12861 130.1
[M+HCOO]- 209.12955 162.0
[M+CH3COO]- 223.14520 184.6
[M+Na-2H]- 185.10602 142.9
[M]+ 164.13080 134.5
[M]- 164.13190 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