CID 485408

90390-02-6

Structural Information

Molecular Formula
C11H17NO
SMILES
CCCNCC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKey
NCOFJPJEQIGDEV-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.0
[M+Na]+ 202.120228 146.6
[M-H]- 178.123734 143.5
[M+NH4]+ 197.164833 160.1
[M+K]+ 218.094168 144.7
[M+H-H2O]+ 162.128270 133.8
[M+HCOO]- 224.129211 165.2
[M+CH3COO]- 238.144861 185.4
[M+Na-2H]- 200.105676 146.8
[M]+ 179.13046142 141.7
[M]- 179.13155858 141.7
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