CID 14989941

3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC(CC1=CC=C(C=C1)OC)(CN)N
InChI
InChI=1S/C11H18N2O/c1-11(13,8-12)7-9-3-5-10(14-2)6-4-9/h3-6H,7-8,12-13H2,1-2H3
InChIKey
MDBPTEVGPIYLQS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

194.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 144.9
[M+Na]+ 217.131118 151.1
[M-H]- 193.134624 147.6
[M+NH4]+ 212.175723 163.6
[M+K]+ 233.105058 148.9
[M+H-H2O]+ 177.139160 138.8
[M+HCOO]- 239.140101 168.2
[M+CH3COO]- 253.155751 189.4
[M+Na-2H]- 215.116566 150.4
[M]+ 194.14135142 143.3
[M]- 194.14244858 143.3
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