CID 91253

25068-95-5

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=C(C=C(C=C1)CC(C)N)OC
InChI
InChI=1S/C11H17NO/c1-8-4-5-10(6-9(2)12)7-11(8)13-3/h4-5,7,9H,6,12H2,1-3H3
InChIKey
XDXMRSBXBOXSQW-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-methylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.7
[M+Na]+ 202.120228 148.1
[M-H]- 178.123734 144.2
[M+NH4]+ 197.164833 160.8
[M+K]+ 218.094168 146.3
[M+H-H2O]+ 162.128270 134.9
[M+HCOO]- 224.129211 164.3
[M+CH3COO]- 238.144861 186.7
[M+Na-2H]- 200.105676 144.4
[M]+ 179.13046142 141.2
[M]- 179.13155858 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

literature stripe

Patent stripe

patents stripe