CID 16777588

N-{[2-(trifluoromethyl)phenyl]methyl}cyclopropanamine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC1NCC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10-4-2-1-3-8(10)7-15-9-5-6-9/h1-4,9,15H,5-7H2
InChIKey
PTJOHRAGNISDHI-UHFFFAOYSA-N
Compound name
N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 136.1
[M+Na]+ 238.081398 145.0
[M-H]- 214.084904 139.8
[M+NH4]+ 233.126003 149.7
[M+K]+ 254.055338 140.9
[M+H-H2O]+ 198.089440 127.0
[M+HCOO]- 260.090381 157.0
[M+CH3COO]- 274.106031 192.7
[M+Na-2H]- 236.066846 142.7
[M]+ 215.09163142 133.6
[M]- 215.09272858 133.6
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

patents stripe