CID 28064583

1-[1-(phenoxymethyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CC1(CN)COC2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c12-8-11(6-7-11)9-13-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKey
PQUPHTVFWGNPPG-UHFFFAOYSA-N
Compound name
[1-(phenoxymethyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.0
[M+Na]+ 200.10459 145.4
[M-H]- 176.10809 144.1
[M+NH4]+ 195.14919 153.6
[M+K]+ 216.07853 143.3
[M+H-H2O]+ 160.11263 131.1
[M+HCOO]- 222.11357 161.8
[M+CH3COO]- 236.12922 184.9
[M+Na-2H]- 198.09004 145.1
[M]+ 177.11482 138.9
[M]- 177.11592 138.9
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