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

4
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 136.1
[M+Na]+ 238.08140 145.0
[M-H]- 214.08490 139.8
[M+NH4]+ 233.12600 149.7
[M+K]+ 254.05534 140.9
[M+H-H2O]+ 198.08944 127.0
[M+HCOO]- 260.09038 157.0
[M+CH3COO]- 274.10603 192.7
[M+Na-2H]- 236.06685 142.7
[M]+ 215.09163 133.6
[M]- 215.09273 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