CID 3060213

77869-59-1

Structural Information

Molecular Formula
C13H21N3
SMILES
CN1CCCN(C1)CCNC2=CC=CC=C2
InChI
InChI=1S/C13H21N3/c1-15-9-5-10-16(12-15)11-8-14-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKey
CGAIRLLOEUPOJT-UHFFFAOYSA-N
Compound name
N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.17355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 152.5
[M+Na]+ 242.162768 156.5
[M-H]- 218.166274 155.1
[M+NH4]+ 237.207373 167.5
[M+K]+ 258.136708 153.0
[M+H-H2O]+ 202.170810 143.1
[M+HCOO]- 264.171751 171.3
[M+CH3COO]- 278.187401 191.3
[M+Na-2H]- 240.148216 157.9
[M]+ 219.17300142 147.6
[M]- 219.17409858 147.6
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

No patent data available for this compound.