CID 4962813

2-(2-methoxy-5-methylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC(=C(C=C1)OC)CCN
InChI
InChI=1S/C10H15NO/c1-8-3-4-10(12-2)9(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3
InChIKey
SMZOUWXMTYCWNB-UHFFFAOYSA-N
Compound name
2-(2-methoxy-5-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

173702
Patents

165.11537 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe