CID 14801555

79251-11-9

Structural Information

Molecular Formula
C10H16N2
SMILES
CNCC1=CC=C(C=C1)CNC
InChI
InChI=1S/C10H16N2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6,11-12H,7-8H2,1-2H3
InChIKey
JVGKCYRIXCBMPD-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

164.13135 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.0
[M+Na]+ 187.12057 142.2
[M-H]- 163.12407 139.6
[M+NH4]+ 182.16517 156.3
[M+K]+ 203.09451 139.9
[M+H-H2O]+ 147.12861 129.7
[M+HCOO]- 209.12955 162.3
[M+CH3COO]- 223.14520 185.2
[M+Na-2H]- 185.10602 143.6
[M]+ 164.13080 135.1
[M]- 164.13190 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe