CID 9989852

N1-(1-methoxypropan-2-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(COC)NC1=CC=CC=C1N
InChI
InChI=1S/C10H16N2O/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3
InChIKey
ZRHGRGRWUGSKGJ-UHFFFAOYSA-N
Compound name
2-N-(1-methoxypropan-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.4
[M+Na]+ 203.11549 146.3
[M-H]- 179.11899 143.6
[M+NH4]+ 198.16009 159.7
[M+K]+ 219.08943 144.7
[M+H-H2O]+ 163.12353 133.9
[M+HCOO]- 225.12447 165.3
[M+CH3COO]- 239.14012 187.5
[M+Na-2H]- 201.10094 145.6
[M]+ 180.12572 139.3
[M]- 180.12682 139.3
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.