CID 28937858

(1-(4-(difluoromethoxy)phenyl)cyclopropyl)methanamine

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1CC1(CN)C2=CC=C(C=C2)OC(F)F
InChI
InChI=1S/C11H13F2NO/c12-10(13)15-9-3-1-8(2-4-9)11(7-14)5-6-11/h1-4,10H,5-7,14H2
InChIKey
PEJPDAMPXPCHPU-UHFFFAOYSA-N
Compound name
[1-[4-(difluoromethoxy)phenyl]cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10381 139.0
[M+Na]+ 236.08575 148.0
[M-H]- 212.08925 143.7
[M+NH4]+ 231.13035 154.2
[M+K]+ 252.05969 145.2
[M+H-H2O]+ 196.09379 131.4
[M+HCOO]- 258.09473 160.8
[M+CH3COO]- 272.11038 191.9
[M+Na-2H]- 234.07120 144.3
[M]+ 213.09598 138.6
[M]- 213.09708 138.6
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.