CID 43609784

1153227-88-3

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1=C(C=CC(=C1)NC2CCOCC2)N
InChI
InChI=1S/C12H18N2O/c1-9-8-11(2-3-12(9)13)14-10-4-6-15-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKey
CMGPOIIAHVAQMX-UHFFFAOYSA-N
Compound name
2-methyl-4-N-(oxan-4-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.3
[M+Na]+ 229.13112 152.1
[M-H]- 205.13462 153.7
[M+NH4]+ 224.17572 164.0
[M+K]+ 245.10506 150.2
[M+H-H2O]+ 189.13916 139.9
[M+HCOO]- 251.14010 168.8
[M+CH3COO]- 265.15575 190.5
[M+Na-2H]- 227.11657 152.6
[M]+ 206.14135 141.9
[M]- 206.14245 141.9
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.