CID 57652763

882188-78-5

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1([C@@H]([C@H]1N)C2=CC=CC=C2)C

InChI

InChI=1S/C11H15N/c1-11(2)9(10(11)12)8-6-4-3-5-7-8/h3-7,9-10H,12H2,1-2H3/t9-,10-/m1/s1

InChIKey

NFISWOCMUKKIGN-NXEZZACHSA-N

Compound name

(1R,3S)-2,2-dimethyl-3-phenylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.12773	131.9
[M+Na]+	184.10967	142.2
[M-H]-	160.11317	139.9
[M+NH4]+	179.15427	149.9
[M+K]+	200.08361	139.6
[M+H-H2O]+	144.11771	126.8
[M+HCOO]-	206.11865	156.6
[M+CH3COO]-	220.13430	185.1
[M+Na-2H]-	182.09512	138.9
[M]+	161.11990	133.3
[M]-	161.12100	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe