CID 20546457

1-(2-methoxyphenyl)propane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C(C1=CC=CC=C1OC)N)N
InChI
InChI=1S/C10H16N2O/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10H,11-12H2,1-2H3
InChIKey
QMRXVLGWTSMWDZ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

180.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 141.6
[M+Na]+ 203.115488 147.3
[M-H]- 179.118994 144.3
[M+NH4]+ 198.160093 160.6
[M+K]+ 219.089428 145.8
[M+H-H2O]+ 163.123530 135.2
[M+HCOO]- 225.124471 164.8
[M+CH3COO]- 239.140121 187.8
[M+Na-2H]- 201.100936 144.4
[M]+ 180.12572142 138.9
[M]- 180.12681858 138.9
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

patents stripe