CID 11041033

1-(phenoxymethyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC1(COC2=CC=CC=C2)N
InChI
InChI=1S/C10H13NO/c11-10(6-7-10)8-12-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKey
DSEKLEWAEDYRCM-UHFFFAOYSA-N
Compound name
1-(phenoxymethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.8
[M+Na]+ 186.08894 141.7
[M-H]- 162.09244 140.2
[M+NH4]+ 181.13354 150.0
[M+K]+ 202.06288 139.7
[M+H-H2O]+ 146.09698 127.1
[M+HCOO]- 208.09792 158.0
[M+CH3COO]- 222.11357 182.0
[M+Na-2H]- 184.07439 141.4
[M]+ 163.09917 134.4
[M]- 163.10027 134.4
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