CID 16228070

1177296-81-9

Structural Information

Molecular Formula
C10H16N2
SMILES
CN(C)CC1=CC=CC(=C1)CN
InChI
InChI=1S/C10H16N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,7-8,11H2,1-2H3
InChIKey
VOVDYPSBXVIIAH-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

164.13135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 136.9
[M+Na]+ 187.12057 143.3
[M-H]- 163.12407 141.5
[M+NH4]+ 182.16517 157.7
[M+K]+ 203.09451 142.1
[M+H-H2O]+ 147.12861 130.5
[M+HCOO]- 209.12955 163.1
[M+CH3COO]- 223.14520 188.0
[M+Na-2H]- 185.10602 142.6
[M]+ 164.13080 136.3
[M]- 164.13190 136.3
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