CID 10352573

(2-amino-2-methylpropyl)(benzyl)methylamine

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)(CN(C)CC1=CC=CC=C1)N
InChI
InChI=1S/C12H20N2/c1-12(2,13)10-14(3)9-11-7-5-4-6-8-11/h4-8H,9-10,13H2,1-3H3
InChIKey
KEVBULSQPZAIAF-UHFFFAOYSA-N
Compound name
1-N-benzyl-1-N,2-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.1
[M+Na]+ 215.15186 151.1
[M-H]- 191.15536 150.3
[M+NH4]+ 210.19646 165.5
[M+K]+ 231.12580 149.9
[M+H-H2O]+ 175.15990 139.6
[M+HCOO]- 237.16084 170.0
[M+CH3COO]- 251.17649 193.3
[M+Na-2H]- 213.13731 152.1
[M]+ 192.16209 145.4
[M]- 192.16319 145.4
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