CID 21916227

(cyclopropylmethyl)(2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃N

SMILES

C1CC1CNCC(F)(F)F

InChI

InChI=1S/C6H10F3N/c7-6(8,9)4-10-3-5-1-2-5/h5,10H,1-4H2

InChIKey

WIXVHLQTPNUBTC-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 153.07654 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.08382	123.0
[M+Na]+	176.06576	131.7
[M-H]-	152.06926	123.8
[M+NH4]+	171.11036	139.0
[M+K]+	192.03970	129.3
[M+H-H2O]+	136.07380	114.9
[M+HCOO]-	198.07474	143.7
[M+CH3COO]-	212.09039	181.8
[M+Na-2H]-	174.05121	130.1
[M]+	153.07599	120.6
[M]-	153.07709	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe