CID 155081

68104-02-9

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC1=CC(=C(C=C1N)OC)N(C)C
InChI
InChI=1S/C10H16N2O/c1-7-5-9(12(2)3)10(13-4)6-8(7)11/h5-6H,11H2,1-4H3
InChIKey
INGHQCVNNYVDFR-UHFFFAOYSA-N
Compound name
2-methoxy-1-N,1-N,5-trimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

180.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 139.6
[M+Na]+ 203.115488 147.9
[M-H]- 179.118994 145.0
[M+NH4]+ 198.160093 160.3
[M+K]+ 219.089428 147.3
[M+H-H2O]+ 163.123530 133.4
[M+HCOO]- 225.124471 166.0
[M+CH3COO]- 239.140121 192.4
[M+Na-2H]- 201.100936 143.9
[M]+ 180.12572142 141.2
[M]- 180.12681858 141.2
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