CID 11958974

3-methyl-4-propoxyaniline hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
CCCOC1=C(C=C(C=C1)N)C
InChI
InChI=1S/C10H15NO/c1-3-6-12-10-5-4-9(11)7-8(10)2/h4-5,7H,3,6,11H2,1-2H3
InChIKey
DRVUDHKNSYTSQJ-UHFFFAOYSA-N
Compound name
3-methyl-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.11537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.6
[M+Na]+ 188.10459 143.6
[M-H]- 164.10809 139.2
[M+NH4]+ 183.14919 156.3
[M+K]+ 204.07853 141.6
[M+H-H2O]+ 148.11263 129.9
[M+HCOO]- 210.11357 160.5
[M+CH3COO]- 224.12922 182.8
[M+Na-2H]- 186.09004 141.1
[M]+ 165.11482 136.3
[M]- 165.11592 136.3
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