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

37
Patents

194.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14918 144.9
[M+Na]+ 217.13112 151.1
[M-H]- 193.13462 147.6
[M+NH4]+ 212.17572 163.6
[M+K]+ 233.10506 148.9
[M+H-H2O]+ 177.13916 138.8
[M+HCOO]- 239.14010 168.2
[M+CH3COO]- 253.15575 189.4
[M+Na-2H]- 215.11657 150.4
[M]+ 194.14135 143.3
[M]- 194.14245 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