CID 23512838

75716-46-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.5
[M+Na]+ 202.12023 147.2
[M-H]- 178.12373 143.5
[M+NH4]+ 197.16483 160.4
[M+K]+ 218.09417 144.9
[M+H-H2O]+ 162.12827 134.3
[M+HCOO]- 224.12921 165.1
[M+CH3COO]- 238.14486 184.7
[M+Na-2H]- 200.10568 146.2
[M]+ 179.13046 141.2
[M]- 179.13156 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