CID 77168479

1-(3-cyclopropoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C1=CC(=CC=C1)OC2CC2)N
InChI
InChI=1S/C11H15NO/c1-8(12)9-3-2-4-11(7-9)13-10-5-6-10/h2-4,7-8,10H,5-6,12H2,1H3
InChIKey
MPWNUUBYWOKATJ-UHFFFAOYSA-N
Compound name
1-(3-cyclopropyloxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.4
[M+Na]+ 200.10459 143.7
[M-H]- 176.10809 142.6
[M+NH4]+ 195.14919 150.3
[M+K]+ 216.07853 140.9
[M+H-H2O]+ 160.11263 128.8
[M+HCOO]- 222.11357 159.6
[M+CH3COO]- 236.12922 187.2
[M+Na-2H]- 198.09004 140.7
[M]+ 177.11482 136.7
[M]- 177.11592 136.7
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

No patent data available for this compound.