CID 28301777

N1-[4-(propan-2-yloxy)phenyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC(C)OC1=CC=C(C=C1)NCCN
InChI
InChI=1S/C11H18N2O/c1-9(2)14-11-5-3-10(4-6-11)13-8-7-12/h3-6,9,13H,7-8,12H2,1-2H3
InChIKey
CUCUEUZOXDYIJP-UHFFFAOYSA-N
Compound name
N'-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 145.0
[M+Na]+ 217.131118 150.5
[M-H]- 193.134624 148.0
[M+NH4]+ 212.175723 163.7
[M+K]+ 233.105058 148.6
[M+H-H2O]+ 177.139160 138.3
[M+HCOO]- 239.140101 169.6
[M+CH3COO]- 253.155751 190.5
[M+Na-2H]- 215.116566 149.6
[M]+ 194.14135142 144.3
[M]- 194.14244858 144.3
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

No patent data available for this compound.